1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline

C25H24N2 — CID 132537219

IUPAC1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCC(c1c[nH]c3ccccc13)N2Cc1ccccc1
InChIInChI=1S/C25H24N2/c1-18-11-13-24-20(15-18)12-14-25(27(24)17-19-7-3-2-4-8-19)22-16-26-23-10-6-5-9-21(22)23/h2-11,13,15-16,25-26H,12,14,17H2,1H3
InChIKeyXXWRHTMVSHEEMM-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.17
Rot. Bonds3

About 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline

1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline (PubChem CID 132537219) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
PubChem CID132537219
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline
SMILESCc1ccc2c(c1)CCC(c1c[nH]c3ccccc13)N2Cc1ccccc1
InChIInChI=1S/C25H24N2/c1-18-11-13-24-20(15-18)12-14-25(27(24)17-19-7-3-2-4-8-19)22-16-26-23-10-6-5-9-21(22)23/h2-11,13,15-16,25-26H,12,14,17H2,1H3
InChIKeyXXWRHTMVSHEEMM-UHFFFAOYSA-N
XLogP6.17
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
CID 101487876
(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
CID 101487875
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
CID 143655533
(10bR)-6-benzyl-2,9-dimethyl-1,3,4,5,5a,10b-hexahydroazepino[4,3-b]indole
CID 58147095
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
CID 10518687
(1S)-1-(1H-indol-3-yl)-2-[(3-methylphenyl)methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 134294091
6-fluoro-2-methyl-1-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline
CID 22198842
methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 134933961
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[(1R,2R)-1-benzyl-1-methylpiperidin-1-ium-2-yl]-1H-indole
CID 124909726

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline (CID 132537219) is 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline is Cc1ccc2c(c1)CCC(c1c[nH]c3ccccc13)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline?
The InChIKey is XXWRHTMVSHEEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-18-11-13-24-20(15-18)12-14-25(27(24)17-19-7-3-2-4-8-19)22-16-26-23-10-6-5-9-21(22)23/h2-11,13,15-16,25-26H,12,14,17H2,1H3.
What are the key properties of 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline?
1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline has a molecular weight of 352.48 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(1H-indol-3-yl)-6-methyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 132537219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).