5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one

C110H154N10O9 — CID 160592216

IUPAC5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C14H19NO.C13H23N3O.C13H19NO.C13H17NO.C13H16O.2C12H15NO.2C10H15NO/c1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-10(2,3)8-5-6-11(4)9(12)7-8/h4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-6H,7-8H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);2*5-7H,1-4H3
InChIKeyRDEHJDKOCLVLIN-UHFFFAOYSA-N
MW1760.50 g/mol
LogP20.28
Rot. Bonds3

About 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one

5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one (PubChem CID 160592216) has the molecular formula C110H154N10O9 and a molecular weight of 1760.50 g/mol. Its IUPAC name is 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
PubChem CID160592216
Molecular FormulaC110H154N10O9
Molecular Weight1760.50 g/mol
Exact Mass1759.19
IUPAC Name5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C14H19NO.C13H23N3O.C13H19NO.C13H17NO.C13H16O.2C12H15NO.2C10H15NO/c1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-10(2,3)8-5-6-11(4)9(12)7-8/h4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-6H,7-8H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);2*5-7H,1-4H3
InChIKeyRDEHJDKOCLVLIN-UHFFFAOYSA-N
XLogP20.28
TPSA211.44 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds3
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.50
LogP ≤ 520.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-tert-butylpyrazole;tert-butyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;4-tert-butyl-1-(4-fluorophenyl)pyrazole;4-tert-butyl-1-(2-hydroxy-2-methylpropyl)pyridin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;4-tert-butyl-1-methylpyridin-2-one;4-tert-butyl-1-propyl-3-(trifluoromethyl)pyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 160089859
4-[[4-[[4-[2-acetyl-7-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dihydroisoindol-5-yl]piperidin-1-yl]methyl]phenyl]methoxy]-2-piperidin-3-yl-3H-isoindol-1-one
CID 176375950
3-[3-oxo-6-[1-[2-[1-[4-(2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]piperidin-4-yl]ethyl]pyrazol-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134579712
3-[3-oxo-6-[1-[2-[1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]ethyl]pyrazol-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 134583011
3-[6-[1-[2-[1-[4-[(1R,2S)-6-butoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]ethyl]pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155769125
5-[4-(3-amino-4-methylphenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-methyl-3-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(1-methylpyrazol-3-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-(4-nitrophenyl)-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-phenoxyphenyl)butyl]-3H-isoindol-1-one
CID 157180564
1-benzyl-4-tert-butylpyrazole;5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-tert-butyl-1-phenylpyrazole;4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;4-(4-tert-butylpyrazol-1-yl)piperidine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one;ethane;methyl 4-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 159071232
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[(2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]pyrazol-1-yl]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]pyrazol-1-yl]propyl]piperazin-1-yl]isoindole-1,3-dione
CID 161672187
2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]pyrazol-1-yl]propyl]piperazin-1-yl]isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[4-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]pyrazol-1-yl]propyl]piperazin-1-yl]isoindole-1,3-dione
CID 161672188

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one (CID 160592216) is 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCc2ccccc2C1.CC(C)(C)c1ccc2c(c1)C(=O)NC2.CC(C)(C)c1ccc2c(c1)CC(=O)C2.CC(C)(C)c1ccc2c(c1)CCC(=O)N2.CC(C)(C)c1ccc2c(c1)CNC2=O.CC(C)(C)c1cnn(CCN2CCOCC2)c1.CN1CCOc2cc(C(C)(C)C)ccc21.Cn1ccc(C(C)(C)C)cc1=O.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one?
The InChIKey is RDEHJDKOCLVLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C13H23N3O.C13H19NO.C13H17NO.C13H16O.2C12H15NO.2C10H15NO/c1-14(2,3)13(16)15-9-8-11-6-4-5-7-12(11)10-15;1-13(2,3)12-10-14-16(11-12)5-4-15-6-8-17-9-7-15;1-13(2,3)10-5-6-11-12(9-10)15-8-7-14(11)4;1-13(2,3)10-5-6-11-9(8-10)4-7-12(15)14-11;1-13(2,3)11-5-4-9-7-12(14)8-10(9)6-11;1-12(2,3)9-4-5-10-8(6-9)7-13-11(10)14;1-12(2,3)9-5-4-8-7-13-11(14)10(8)6-9;2*1-10(2,3)8-5-6-11(4)9(12)7-8/h4-7H,8-10H2,1-3H3;10-11H,4-9H2,1-3H3;5-6,9H,7-8H2,1-4H3;5-6,8H,4,7H2,1-3H3,(H,14,15);4-6H,7-8H2,1-3H3;2*4-6H,7H2,1-3H3,(H,13,14);2*5-7H,1-4H3.
What are the key properties of 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one?
5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one has a molecular weight of 1760.50 g/mol, XLogP of 20.28, 3 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-dihydroinden-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-2,3-dihydroisoindol-1-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;bis(4-tert-butyl-1-methylpyridin-2-one);4-[2-(4-tert-butylpyrazol-1-yl)ethyl]morpholine;1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 160592216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).