N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide

C29H27N3O3 — CID 71214926

IUPACN-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(C)c3)cc(C(=O)NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C29H27N3O3/c1-18-14-19(8-11-28(18)35-3)27-16-24(23-15-21(34-2)9-10-26(23)32-27)29(33)30-13-12-20-17-31-25-7-5-4-6-22(20)25/h4-11,14-17,31H,12-13H2,1-3H3,(H,30,33)
InChIKeyACKZTEUNTZPKLA-UHFFFAOYSA-N
MW465.55 g/mol
LogP5.68
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide (PubChem CID 71214926) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
PubChem CID71214926
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(C)c3)cc(C(=O)NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C29H27N3O3/c1-18-14-19(8-11-28(18)35-3)27-16-24(23-15-21(34-2)9-10-26(23)32-27)29(33)30-13-12-20-17-31-25-7-5-4-6-22(20)25/h4-11,14-17,31H,12-13H2,1-3H3,(H,30,33)
InChIKeyACKZTEUNTZPKLA-UHFFFAOYSA-N
XLogP5.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-methoxy-5-methylbenzamide
CID 17433152
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
CID 17271835
2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide
CID 58832071
2,4-dimethoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzamide
CID 17271778
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-[2-(1H-indol-3-yl)ethyl]-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212129
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23970143
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798360
2-amino-5-benzoyl-N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 56588245

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide (CID 71214926) is N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide is COc1ccc2nc(-c3ccc(OC)c(C)c3)cc(C(=O)NCCc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is ACKZTEUNTZPKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-18-14-19(8-11-28(18)35-3)27-16-24(23-15-21(34-2)9-10-26(23)32-27)29(33)30-13-12-20-17-31-25-7-5-4-6-22(20)25/h4-11,14-17,31H,12-13H2,1-3H3,(H,30,33).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 71214926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).