7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide

C20H25N3O2 — CID 53137977

IUPAC7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCC(C)C)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C20H25N3O2/c1-12(2)11-21-20(25)17-9-15(23-19(24)14-5-4-6-14)10-18-16(17)8-7-13(3)22-18/h7-10,12,14H,4-6,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyTZFYKDMWWMCZMO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.67
Rot. Bonds5

About 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide

7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide (PubChem CID 53137977) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
PubChem CID53137977
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide
SMILESCc1ccc2c(C(=O)NCC(C)C)cc(NC(=O)C3CCC3)cc2n1
InChIInChI=1S/C20H25N3O2/c1-12(2)11-21-20(25)17-9-15(23-19(24)14-5-4-6-14)10-18-16(17)8-7-13(3)22-18/h7-10,12,14H,4-6,11H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyTZFYKDMWWMCZMO-UHFFFAOYSA-N
XLogP3.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(cyclobutanecarbonylamino)-2-methylquinoline-5-carboxylic acid
CID 90488075
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-thiophen-2-ylethyl)quinoline-5-carboxamide
CID 53137983
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
4-(cyclobutanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 47309837
5-(cyclobutanecarbonylamino)-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 1063157
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
N-[(2-chlorophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842551
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
CID 50842476
5-(cyclobutanecarbonylamino)-1-methyl-N-(2-methylpropyl)indole-2-carboxamide
CID 83280459
N-[(3-bromophenyl)methyl]-2-methyl-7-(2-methylpropanoylamino)quinoline-5-carboxamide
CID 50842284
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide?
The IUPAC name of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide (CID 53137977) is 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide.
What is the SMILES notation for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide?
The canonical SMILES for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide is Cc1ccc2c(C(=O)NCC(C)C)cc(NC(=O)C3CCC3)cc2n1.
What is the InChIKey of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide?
The InChIKey is TZFYKDMWWMCZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-12(2)11-21-20(25)17-9-15(23-19(24)14-5-4-6-14)10-18-16(17)8-7-13(3)22-18/h7-10,12,14H,4-6,11H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide?
7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutanecarbonylamino)-2-methyl-N-(2-methylpropyl)quinoline-5-carboxamide is sourced from PubChem (CID 53137977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).