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

C16H19N3O — CID 63375463

IUPAC4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H19N3O/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,(H2,17,18)
InChIKeyGZNCDFPAUDZYFK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.69
Rot. Bonds3

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

4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide (PubChem CID 63375463) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
PubChem CID63375463
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C16H19N3O/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,(H2,17,18)
InChIKeyGZNCDFPAUDZYFK-UHFFFAOYSA-N
XLogP2.69
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375737
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
CID 79385801
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
CID 106202811
(4-aminoquinolin-2-yl)-(3-ethylcyclohexyl)methanone
CID 116603535
N-(cyclopropylmethyl)-N-methyl-2-(methylamino)quinoline-4-carboxamide
CID 62181843
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 115485636

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide (CID 63375463) is 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide is CN(CC1CCC1)C(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
The InChIKey is GZNCDFPAUDZYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/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,(H2,17,18).
What are the key properties of 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide?
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 63375463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).