7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid

C16H16N2O3 — CID 90488075

IUPAC7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C16H16N2O3/c1-9-5-6-12-13(16(20)21)7-11(8-14(12)17-9)18-15(19)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyXAAAWAOCPJGLRC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.98
Rot. Bonds3

About 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid

7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid (PubChem CID 90488075) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid.

Molecular Properties

Compound Name7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
PubChem CID90488075
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
SMILESCc1ccc2c(C(=O)O)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C16H16N2O3/c1-9-5-6-12-13(16(20)21)7-11(8-14(12)17-9)18-15(19)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,18,19)(H,20,21)
InChIKeyXAAAWAOCPJGLRC-UHFFFAOYSA-N
XLogP2.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-methyl-5-(pyrrolidine-1-carbonyl)quinolin-7-yl]cyclopropanecarboxamide
CID 53137966
N-[5-(azepane-1-carbonyl)-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 53137967
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
CID 53137977
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
CID 53137983
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
4-(cyclooctanecarbonylamino)-2-methylbenzoic acid
CID 65019247
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
N-[4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylquinolin-7-yl]cyclopropanecarboxamide
CID 91456633
2-methyl-5-(piperidine-3-carbonylamino)benzoic acid
CID 63653513
6-(cyclopentanecarbonylamino)-2-(dipropylamino)quinoline-4-carboxylic acid
CID 46326852

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid?
The IUPAC name of 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid (CID 90488075) is 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid.
What is the SMILES notation for 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid?
The canonical SMILES for 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid is Cc1ccc2c(C(=O)O)cc(NC(=O)C3CCC3)cc2n1.
What is the InChIKey of 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid?
The InChIKey is XAAAWAOCPJGLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-5-6-12-13(16(20)21)7-11(8-14(12)17-9)18-15(19)10-3-2-4-10/h5-8,10H,2-4H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid?
7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid is sourced from PubChem (CID 90488075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).