N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide

C27H23N3O — CID 17271835

IUPACN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C27H23N3O/c1-18-11-12-24-22(15-18)20(17-29-24)13-14-28-27(31)23-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-21(23)25/h2-12,15-17,29H,13-14H2,1H3,(H,28,31)
InChIKeyUXULRKDIIVCMDB-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.66
Rot. Bonds5

About N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 17271835) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID17271835
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC NameN-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1
InChIInChI=1S/C27H23N3O/c1-18-11-12-24-22(15-18)20(17-29-24)13-14-28-27(31)23-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-21(23)25/h2-12,15-17,29H,13-14H2,1H3,(H,28,31)
InChIKeyUXULRKDIIVCMDB-UHFFFAOYSA-N
XLogP5.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798360
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798361
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-[2-(2-methoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 1257051
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
CID 71214926
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
7-(difluoromethyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17026611
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide (CID 17271835) is N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide is Cc1ccc2[nH]cc(CCNC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1.
What is the InChIKey of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is UXULRKDIIVCMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-18-11-12-24-22(15-18)20(17-29-24)13-14-28-27(31)23-16-26(19-7-3-2-4-8-19)30-25-10-6-5-9-21(23)25/h2-12,15-17,29H,13-14H2,1H3,(H,28,31).
What are the key properties of N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 17271835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).