2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide

C23H23N3O3 — CID 94130731

IUPAC2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)c3ccccc3n2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)25-21)22(27)26-20-8-4-5-13-24-23(20)28/h2-3,6-7,9-12,14,20H,4-5,8,13H2,1H3,(H,24,28)(H,26,27)/t20-/m1/s1
InChIKeyQARSYEMXEUJQEF-HXUWFJFHSA-N
MW389.46 g/mol
LogP3.31
Rot. Bonds4

About 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide (PubChem CID 94130731) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
PubChem CID94130731
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)c3ccccc3n2)cc1
InChIInChI=1S/C23H23N3O3/c1-29-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)25-21)22(27)26-20-8-4-5-13-24-23(20)28/h2-3,6-7,9-12,14,20H,4-5,8,13H2,1H3,(H,24,28)(H,26,27)/t20-/m1/s1
InChIKeyQARSYEMXEUJQEF-HXUWFJFHSA-N
XLogP3.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxoazepan-3-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 55812409
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 119456905
1-benzyl-3-(4-methoxyphenyl)-N-(2-oxoazepan-3-yl)pyrazole-4-carboxamide
CID 55933489
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyquinoline-4-carboxamide
CID 52829074
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93008975
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
methyl 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]cyclopentane-1-carboxylate
CID 55561141
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide (CID 94130731) is 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide?
The InChIKey is QARSYEMXEUJQEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-16-11-9-15(10-12-16)21-14-18(17-6-2-3-7-19(17)25-21)22(27)26-20-8-4-5-13-24-23(20)28/h2-3,6-7,9-12,14,20H,4-5,8,13H2,1H3,(H,24,28)(H,26,27)/t20-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 94130731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).