4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide

C17H19ClN2O — CID 63376080

IUPAC4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc(Cl)c2ccccc2n1)C1CC1
InChIInChI=1S/C17H19ClN2O/c1-11(2)10-20(12-7-8-12)17(21)16-9-14(18)13-5-3-4-6-15(13)19-16/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyVNQGGEWJSLKZHC-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide

4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide (PubChem CID 63376080) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
PubChem CID63376080
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide
SMILESCC(C)CN(C(=O)c1cc(Cl)c2ccccc2n1)C1CC1
InChIInChI=1S/C17H19ClN2O/c1-11(2)10-20(12-7-8-12)17(21)16-9-14(18)13-5-3-4-6-15(13)19-16/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyVNQGGEWJSLKZHC-UHFFFAOYSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-(2-methylpropyl)benzamide
CID 22118809
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737
4-[cyclopropyl(2-methylpropyl)amino]quinoline-2-carboxylic acid
CID 63537181
2-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 39902798
3-[cyclopropyl(quinoline-2-carbonyl)amino]-2-methylpropanoic acid
CID 120535420
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
4-methylpentan-2-yl 4-chloroquinoline-2-carboxylate
CID 63839691
1-(4-chloroquinolin-2-yl)ethanone
CID 14792596
N-cyclopropyl-N-ethyl-4-(methylamino)quinoline-2-carboxamide
CID 63375436
4-chloro-N-methyl-N-(2-methyloxolan-3-yl)quinoline-2-carboxamide
CID 82736181
3-[cyclopropyl(2-methylpropyl)carbamoyl]benzoic acid
CID 55001659
2-chloro-N-cyclopropyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 60749864

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide (CID 63376080) is 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide is CC(C)CN(C(=O)c1cc(Cl)c2ccccc2n1)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide?
The InChIKey is VNQGGEWJSLKZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-11(2)10-20(12-7-8-12)17(21)16-9-14(18)13-5-3-4-6-15(13)19-16/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide?
4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(2-methylpropyl)quinoline-2-carboxamide is sourced from PubChem (CID 63376080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).