N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide

C21H25N3O2 — CID 53137967

IUPACN-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CC3)cc2n1
InChIInChI=1S/C21H25N3O2/c1-14-6-9-17-18(21(26)24-10-4-2-3-5-11-24)12-16(13-19(17)22-14)23-20(25)15-7-8-15/h6,9,12-13,15H,2-5,7-8,10-11H2,1H3,(H,23,25)
InChIKeyWRXZRGQQWHSBLJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.91
Rot. Bonds3

About N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide

N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide (PubChem CID 53137967) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
PubChem CID53137967
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
SMILESCc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CC3)cc2n1
InChIInChI=1S/C21H25N3O2/c1-14-6-9-17-18(21(26)24-10-4-2-3-5-11-24)12-16(13-19(17)22-14)23-20(25)15-7-8-15/h6,9,12-13,15H,2-5,7-8,10-11H2,1H3,(H,23,25)
InChIKeyWRXZRGQQWHSBLJ-UHFFFAOYSA-N
XLogP3.91
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(pyrrolidine-1-carbonyl)quinolin-7-yl]cyclopropanecarboxamide
CID 53137966
7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
CID 90488075
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
CID 53137983
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-[2-[3-hydroxy-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrol-2-yl]-1-methylbenzimidazol-5-yl]cyclopropanecarboxamide
CID 135638530
N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 91456633
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide (CID 53137967) is N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide is Cc1ccc2c(C(=O)N3CCCCCC3)cc(NC(=O)C3CC3)cc2n1.
What is the InChIKey of N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide?
The InChIKey is WRXZRGQQWHSBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-6-9-17-18(21(26)24-10-4-2-3-5-11-24)12-16(13-19(17)22-14)23-20(25)15-7-8-15/h6,9,12-13,15H,2-5,7-8,10-11H2,1H3,(H,23,25).
What are the key properties of N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide?
N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 53137967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).