N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide

C16H17ClN2O — CID 177346635

IUPACN-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1cc(NC(=O)C2CC2)nc2cccc(Cl)c12
InChIInChI=1S/C16H17ClN2O/c1-9(2)11-8-14(19-16(20)10-6-7-10)18-13-5-3-4-12(17)15(11)13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyNVGKAXKZUDKRHW-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.36
Rot. Bonds3

About N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide

N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide (PubChem CID 177346635) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
PubChem CID177346635
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC NameN-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide
SMILESCC(C)c1cc(NC(=O)C2CC2)nc2cccc(Cl)c12
InChIInChI=1S/C16H17ClN2O/c1-9(2)11-8-14(19-16(20)10-6-7-10)18-13-5-3-4-12(17)15(11)13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20)
InChIKeyNVGKAXKZUDKRHW-UHFFFAOYSA-N
XLogP4.36
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-1-aminopent-2-enylidene]cyclopropanecarboxamide;N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide;N-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)cyclopropanecarboxamide
CID 177347410
N-(4-propan-2-yl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 16938450
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
ethane;N-[5-methyl-6-(methyliminomethylamino)-4-propan-2-yl-2-pyridinyl]cyclopropanecarboxamide
CID 170960754
4-[(2-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788003
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144556
N-[6-(difluoromethyl)-4-methyl-5-oxo-1,6-naphthyridin-2-yl]cyclopropanecarboxamide
CID 178152173

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide (CID 177346635) is N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide is CC(C)c1cc(NC(=O)C2CC2)nc2cccc(Cl)c12.
What is the InChIKey of N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide?
The InChIKey is NVGKAXKZUDKRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-9(2)11-8-14(19-16(20)10-6-7-10)18-13-5-3-4-12(17)15(11)13/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide?
N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide has a molecular weight of 288.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-propan-2-ylquinolin-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 177346635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).