2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide

C30H29N3O3 — CID 58832071

IUPAC2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide
SMILESCCc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3cc(OC)ccc3n2)c1
InChIInChI=1S/C30H29N3O3/c1-3-19-7-6-8-20(13-19)29-16-26(25-15-23(36-2)11-12-28(25)33-29)30(35)32-22(18-34)14-21-17-31-27-10-5-4-9-24(21)27/h4-13,15-17,22,31,34H,3,14,18H2,1-2H3,(H,32,35)/t22-/m1/s1
InChIKeyFHWDCKPKWBYLJV-JOCHJYFZSA-N
MW479.58 g/mol
LogP5.29
Rot. Bonds8

About 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide

2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide (PubChem CID 58832071) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide
PubChem CID58832071
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC Name2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide
SMILESCCc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3cc(OC)ccc3n2)c1
InChIInChI=1S/C30H29N3O3/c1-3-19-7-6-8-20(13-19)29-16-26(25-15-23(36-2)11-12-28(25)33-29)30(35)32-22(18-34)14-21-17-31-27-10-5-4-9-24(21)27/h4-13,15-17,22,31,34H,3,14,18H2,1-2H3,(H,32,35)/t22-/m1/s1
InChIKeyFHWDCKPKWBYLJV-JOCHJYFZSA-N
XLogP5.29
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-hydroxybut-1-ynyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 58831981
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methoxy-5-(3-methoxyphenyl)benzamide
CID 58831850
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 67218406
N-[2-(1H-indol-3-yl)ethyl]-6-methoxy-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxamide
CID 71214926
(2R)-3-(1H-indol-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]propanoic acid
CID 69110704
2-(3,5-difluoro-4-methoxyphenyl)-N-[(2R)-1-(1-ethylindol-3-yl)-3-hydroxypropan-2-yl]-6-methoxyquinoline-4-carboxamide
CID 58831934
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-[3-(hydroxymethyl)phenyl]-2-propoxybenzamide
CID 58832033
methyl 3-(1H-indol-3-yl)-2-[[2-(3,4,5-trimethoxyphenyl)quinoline-4-carbonyl]amino]propanoate
CID 91615584
N-[1-hydroxy-3-(1H-pyrrolo[3,2-b]pyridin-3-yl)propan-2-yl]-2-(7-methoxy-1-benzofuran-2-yl)-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 25205091
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
5-(2-fluoro-5-methoxyphenyl)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-propoxybenzamide
CID 159935743
5-(3-acetylphenyl)-2-ethoxy-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 71215129

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide (CID 58832071) is 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide is CCc1cccc(-c2cc(C(=O)N[C@@H](CO)Cc3c[nH]c4ccccc34)c3cc(OC)ccc3n2)c1.
What is the InChIKey of 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide?
The InChIKey is FHWDCKPKWBYLJV-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-3-19-7-6-8-20(13-19)29-16-26(25-15-23(36-2)11-12-28(25)33-29)30(35)32-22(18-34)14-21-17-31-27-10-5-4-9-24(21)27/h4-13,15-17,22,31,34H,3,14,18H2,1-2H3,(H,32,35)/t22-/m1/s1.
What are the key properties of 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide?
2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)-N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 58832071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).