3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one

C198H222N18O13 — CID 157372954

IUPAC3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)(C)C1=CCc2ccccc2C1=O.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2oc1=O.CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1C(=O)Cc2cnccc2C1=O.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O
InChIInChI=1S/C14H16O.C14H16.5C13H15N.C13H14O2.C12H14N2O.C12H13NO2.2C12H13NO.C11H12N2O2.3C11H12N2O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)13-10(14)5-8-6-12-4-3-9(8)11(13)15;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10/h4-7,9H,8H2,1-3H3;4-10H,1-3H3;5*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,13,14,15);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-4,6-7H,5H2,1-2H3;3*3-7H,1-2H3,(H,13,14)
InChIKeyBJZDUKUKQIQXPN-UHFFFAOYSA-N
MW3062.07 g/mol
LogP44.96
Rot. Bonds8

About 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one

3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one (PubChem CID 157372954) has the molecular formula C198H222N18O13 and a molecular weight of 3062.07 g/mol. Its IUPAC name is 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one
PubChem CID157372954
Molecular FormulaC198H222N18O13
Molecular Weight3062.07 g/mol
Exact Mass3059.73
IUPAC Name3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)(C)C1=CCc2ccccc2C1=O.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2oc1=O.CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1C(=O)Cc2cnccc2C1=O.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O
InChIInChI=1S/C14H16O.C14H16.5C13H15N.C13H14O2.C12H14N2O.C12H13NO2.2C12H13NO.C11H12N2O2.3C11H12N2O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)13-10(14)5-8-6-12-4-3-9(8)11(13)15;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10/h4-7,9H,8H2,1-3H3;4-10H,1-3H3;5*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,13,14,15);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-4,6-7H,5H2,1-2H3;3*3-7H,1-2H3,(H,13,14)
InChIKeyBJZDUKUKQIQXPN-UHFFFAOYSA-N
XLogP44.96
TPSA437.36 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms229
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003062.07
LogP ≤ 544.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(3-tert-butylphenyl)methyl]-3-[[6-[2-(dimethylamino)ethyl-methylamino]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methylbenzamide
CID 90936133
tert-butyl 7-[3-(1,3-dioxo-4H-isoquinolin-2-yl)-7-fluoro-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 156778195
tert-butyl 7-[3-(1,3-dioxo-4H-isoquinolin-2-yl)-7-fluoro-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-ethyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 156778204
2-fluoro-6-methyl-N-[1-[8-(1-methyl-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl)quinolin-5-yl]-3-oxobutan-2-yl]-4-[3-(trifluoromethyl)morpholin-4-yl]benzamide;phenyl 2-[[2-fluoro-6-methyl-4-[3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 161421891
Tert-butyl 7-[7-fluoro-3-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)amino]-8-[(2-methylpropan-2-yl)oxycarbonylamino]isoquinolin-6-yl]-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 166082112
tert-butyl (3S)-4-[7-[2-[7-[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-4-yl]piperidin-1-yl]heptoxy]-6-fluorophenyl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate
CID 166564924
[7-[[1-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-4-methylphenyl]azetidin-3-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[6-(1,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)-7-fluoroisoquinolin-3-yl]carbamate
CID 176695043
[7-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate
CID 176695276
[7-[[1-[3-[(2,6-dioxopiperidin-3-yl)-formylcarbamoyl]-4-methylphenyl]piperidin-4-yl]methyl]-7-azaspiro[3.5]nonan-2-yl] N-[6-(1,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl)-7-fluoroisoquinolin-3-yl]carbamate
CID 176695574
N-[(3-tert-butylphenyl)methyl]-3-[[6-[2-(dimethylamino)ethyl-methylamino]-1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[1-[[4-[[4-methoxy-3-(trifluoromethyl)phenyl]carbamoyl]-2-[[6-(4-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-6-morpholin-4-yl-8aH-pyrimido[5,4-d]pyrimidin-4-yl]amino]phenyl]methyl]-8aH-pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-methylbenzamide
CID 162587109
2-amino-8-N-[5-[(4R)-4-amino-3-oxo-5-phenylpentyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[(4S)-4-amino-3-oxo-5-phenylpentyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[3-oxo-3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate
CID 157138123
bis(2-amino-8-N-[5-(4-amino-3-oxo-5-phenylpentyl)-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide);2-amino-8-N-[5-[3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-3-yl)propyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;2-amino-8-N-[5-[3-oxo-3-(1,2,3,4-tetrahydroquinolin-2-yl)propyl]-3-pyridinyl]-4-N,4-N-dipropyl-3H-1-benzazepine-4,8-dicarboxamide;phenyl 3-[5-[[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepine-8-carbonyl]amino]-3-pyridinyl]propanoate
CID 157138125

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one (CID 157372954) is 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one is CC(C)(C)C1=CCc2ccccc2C1=O.CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2oc1=O.CC(C)(C)c1cc2cccnc2[nH]c1=O.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1cccc2ncccc12.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1cncc2ccccc12.CC(C)N1C(=O)Cc2ccccc2C1=O.CC(C)N1C(=O)Cc2cnccc2C1=O.CC(C)Oc1nccc2ccccc12.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2ccncc2[nH]c1=O.CC(C)c1cc2cnccc2[nH]c1=O.CC(C)c1cc2ncccc2[nH]c1=O.
What is the InChIKey of 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is BJZDUKUKQIQXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C14H16.5C13H15N.C13H14O2.C12H14N2O.C12H13NO2.2C12H13NO.C11H12N2O2.3C11H12N2O/c1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-13(2,3)10-8-9-6-4-5-7-11(9)15-12(10)14;1-12(2,3)9-7-8-5-4-6-13-10(8)14-11(9)15;1-8(2)13-11(14)7-9-5-3-4-6-10(9)12(13)15;1-9(2)14-12-11-6-4-3-5-10(11)7-8-13-12;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-7(2)13-10(14)5-8-6-12-4-3-9(8)11(13)15;1-7(2)9-5-8-6-12-4-3-10(8)13-11(9)14;1-7(2)9-5-8-3-4-12-6-10(8)13-11(9)14;1-7(2)8-6-10-9(13-11(8)14)4-3-5-12-10/h4-7,9H,8H2,1-3H3;4-10H,1-3H3;5*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,13,14,15);3-6,8H,7H2,1-2H3;3-9H,1-2H3;3-8H,1-2H3,(H,13,14);3-4,6-7H,5H2,1-2H3;3*3-7H,1-2H3,(H,13,14).
What are the key properties of 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one?
3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 3062.07 g/mol, XLogP of 44.96, 8 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylchromen-2-one;3-tert-butylisoquinoline;4-tert-butylisoquinoline;2-tert-butylnaphthalene;2-tert-butyl-4H-naphthalen-1-one;3-tert-butyl-1H-1,8-naphthyridin-2-one;4-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline;2-propan-2-yl-4H-isoquinoline-1,3-dione;2-propan-2-yl-4H-2,6-naphthyridine-1,3-dione;3-propan-2-yl-1H-1,5-naphthyridin-2-one;3-propan-2-yl-1H-1,6-naphthyridin-2-one;3-propan-2-yl-1H-1,7-naphthyridin-2-one;1-propan-2-yloxyisoquinoline;3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 157372954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).