7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline

C93H105N13O2 — CID 159265605

IUPAC7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline
SMILESCC(C)c1cccc2ccccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2cnccc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2c1cnn2C.COc1ccc2c(C(C)C)ccnc2c1.COc1cccc2c(C(C)C)ccnc12
InChIInChI=1S/2C13H15NO.C13H14.C12H13N.3C11H12N2.C9H12N4/c1-9(2)11-6-7-14-13-8-10(15-3)4-5-12(11)13;1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-13-11-7-12-5-3-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h2*4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;4-6H,1-3H3
InChIKeyKXBDXOBKUHBZRS-UHFFFAOYSA-N
MW1436.95 g/mol
LogP23.80
Rot. Bonds10

About 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline

7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline (PubChem CID 159265605) has the molecular formula C93H105N13O2 and a molecular weight of 1436.95 g/mol. Its IUPAC name is 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline.

Molecular Properties

Compound Name7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline
PubChem CID159265605
Molecular FormulaC93H105N13O2
Molecular Weight1436.95 g/mol
Exact Mass1435.85
IUPAC Name7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline
SMILESCC(C)c1cccc2ccccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2cnccc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2c1cnn2C.COc1ccc2c(C(C)C)ccnc2c1.COc1cccc2c(C(C)C)ccnc12
InChIInChI=1S/2C13H15NO.C13H14.C12H13N.3C11H12N2.C9H12N4/c1-9(2)11-6-7-14-13-8-10(15-3)4-5-12(11)13;1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-13-11-7-12-5-3-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h2*4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;4-6H,1-3H3
InChIKeyKXBDXOBKUHBZRS-UHFFFAOYSA-N
XLogP23.80
TPSA178.07 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001436.95
LogP ≤ 523.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-[3-(6-Methyl-3-pyridinyl)-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582298
4-[3-Pyridin-3-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 86582299
N,N-dimethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 86582301
N,N-diethyl-5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 86582451
4-[3-(6-Piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-3-yloxyethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 117728453
4-[3-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
CID 121596861
4-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-(trifluoromethoxy)quinoline
CID 142464190
7-Fluoro-6-methoxy-4-[7-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
CID 142464371
5-(1-Methylpyrazol-3-yl)-7-[5-[(2-morpholin-4-ylquinolin-7-yl)oxymethyl]-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304067
7-[5-[(6-Ethyl-8-morpholin-4-yl-1,5-naphthyridin-3-yl)oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304073
4-[2-[1-(5-Methoxyquinazolin-4-yl)piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
CID 121406390
US10292985, Example 13
CID 126651266

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline?
The IUPAC name of 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline (CID 159265605) is 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline.
What is the SMILES notation for 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline?
The canonical SMILES for 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline is CC(C)c1cccc2ccccc12.CC(C)c1ccnc2ccccc12.CC(C)c1ccnc2cccnc12.CC(C)c1ccnc2cnccc12.CC(C)c1ccnc2ncccc12.CC(C)c1ncnc2c1cnn2C.COc1ccc2c(C(C)C)ccnc2c1.COc1cccc2c(C(C)C)ccnc12.
What is the InChIKey of 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline?
The InChIKey is KXBDXOBKUHBZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15NO.C13H14.C12H13N.3C11H12N2.C9H12N4/c1-9(2)11-6-7-14-13-8-10(15-3)4-5-12(11)13;1-9(2)10-7-8-14-13-11(10)5-4-6-12(13)15-3;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-9(2)10-7-8-13-12-6-4-3-5-11(10)12;1-8(2)9-4-6-13-11-7-12-5-3-10(9)11;1-8(2)9-5-7-12-10-4-3-6-13-11(9)10;1-8(2)9-5-7-13-11-10(9)4-3-6-12-11;1-6(2)8-7-4-12-13(3)9(7)11-5-10-8/h2*4-9H,1-3H3;3-10H,1-2H3;3-9H,1-2H3;3*3-8H,1-2H3;4-6H,1-3H3.
What are the key properties of 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline?
7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline has a molecular weight of 1436.95 g/mol, XLogP of 23.80, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-propan-2-ylquinoline;8-methoxy-4-propan-2-ylquinoline;1-methyl-4-propan-2-ylpyrazolo[3,4-d]pyrimidine;1-propan-2-ylnaphthalene;4-propan-2-yl-1,5-naphthyridine;4-propan-2-yl-1,7-naphthyridine;4-propan-2-yl-1,8-naphthyridine;4-propan-2-ylquinoline is sourced from PubChem (CID 159265605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).