4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide

C16H17ClN2O — CID 63375737

IUPAC4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O/c1-19(10-11-5-4-6-11)16(20)15-9-13(17)12-7-2-3-8-14(12)18-15/h2-3,7-9,11H,4-6,10H2,1H3
InChIKeyAYARNIGLVAKKLR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide

4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide (PubChem CID 63375737) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
PubChem CID63375737
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C16H17ClN2O/c1-19(10-11-5-4-6-11)16(20)15-9-13(17)12-7-2-3-8-14(12)18-15/h2-3,7-9,11H,4-6,10H2,1H3
InChIKeyAYARNIGLVAKKLR-UHFFFAOYSA-N
XLogP3.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide (CID 63375737) is 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide is CN(CC1CCC1)C(=O)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The InChIKey is AYARNIGLVAKKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-19(10-11-5-4-6-11)16(20)15-9-13(17)12-7-2-3-8-14(12)18-15/h2-3,7-9,11H,4-6,10H2,1H3.
What are the key properties of 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 63375737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).