4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine

C29H29N3O — CID 4281655

IUPAC4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccccc4)cc3c2CCCCN)c2ccc(C)nc12
InChIInChI=1S/C29H29N3O/c1-19-11-13-24-23(14-16-27(33-2)29(24)31-19)28-22(10-6-7-17-30)25-18-21(12-15-26(25)32-28)20-8-4-3-5-9-20/h3-5,8-9,11-16,18,32H,6-7,10,17,30H2,1-2H3
InChIKeyHZJSCXZUMHIETA-UHFFFAOYSA-N
MW435.57 g/mol
LogP6.65
Rot. Bonds7

About 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine

4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine (PubChem CID 4281655) has the molecular formula C29H29N3O and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
PubChem CID4281655
Molecular FormulaC29H29N3O
Molecular Weight435.57 g/mol
Exact Mass435.23
IUPAC Name4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccccc4)cc3c2CCCCN)c2ccc(C)nc12
InChIInChI=1S/C29H29N3O/c1-19-11-13-24-23(14-16-27(33-2)29(24)31-19)28-22(10-6-7-17-30)25-18-21(12-15-26(25)32-28)20-8-4-3-5-9-20/h3-5,8-9,11-16,18,32H,6-7,10,17,30H2,1-2H3
InChIKeyHZJSCXZUMHIETA-UHFFFAOYSA-N
XLogP6.65
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine with MolForge

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Related Compounds

4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-(trifluoromethyl)-1H-indol-3-yl]butan-1-amine
CID 4310170
4-[4,6-dichloro-2-(8-methoxy-2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3449865
4-[2-(2-methoxy-3-methylphenyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 4545221
4-[2-(2-methoxy-3-pyridinyl)-5-phenyl-1H-indol-3-yl]butan-1-amine
CID 3936271
3-(4-aminobutyl)-2-(8-ethoxy-2-methylquinolin-5-yl)-1H-indole-5-carbonitrile
CID 4013028
4-[5-butan-2-yl-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3357825
4-[2-(2-methylquinolin-5-yl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3934944
4-[5-chloro-2-(2-methylquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3577273
4-[6,7-dichloro-2-(8-methoxyquinolin-5-yl)-1H-indol-3-yl]butan-1-amine
CID 3502542
4-[2-(4-methoxyquinolin-2-yl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 4520572
4-[2-(5-chloro-2-methoxyphenyl)-5-phenoxy-1H-indol-3-yl]butan-1-amine
CID 3539638
4-[5-chloro-2-(4-phenylphenyl)-1H-indol-3-yl]butan-1-amine
CID 5035921

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The IUPAC name of 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine (CID 4281655) is 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The canonical SMILES for 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine is COc1ccc(-c2[nH]c3ccc(-c4ccccc4)cc3c2CCCCN)c2ccc(C)nc12.
What is the InChIKey of 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
The InChIKey is HZJSCXZUMHIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O/c1-19-11-13-24-23(14-16-27(33-2)29(24)31-19)28-22(10-6-7-17-30)25-18-21(12-15-26(25)32-28)20-8-4-3-5-9-20/h3-5,8-9,11-16,18,32H,6-7,10,17,30H2,1-2H3.
What are the key properties of 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine?
4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine has a molecular weight of 435.57 g/mol, XLogP of 6.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-2-methylquinolin-5-yl)-5-phenyl-1H-indol-3-yl]butan-1-amine is sourced from PubChem (CID 4281655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).