4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide

C15H19N3O2 — CID 79385801

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-15(2,20)9-18(3)14(19)13-8-11(16)10-6-4-5-7-12(10)17-13/h4-8,20H,9H2,1-3H3,(H2,16,17)
InChIKeyNQPKPSWZVUGYEH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds3

About 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide (PubChem CID 79385801) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
PubChem CID79385801
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-15(2,20)9-18(3)14(19)13-8-11(16)10-6-4-5-7-12(10)17-13/h4-8,20H,9H2,1-3H3,(H2,16,17)
InChIKeyNQPKPSWZVUGYEH-UHFFFAOYSA-N
XLogP1.66
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 115485636
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
CID 103102039
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide (CID 79385801) is 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide is CN(CC(C)(C)O)C(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide?
The InChIKey is NQPKPSWZVUGYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,20)9-18(3)14(19)13-8-11(16)10-6-4-5-7-12(10)17-13/h4-8,20H,9H2,1-3H3,(H2,16,17).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide is sourced from PubChem (CID 79385801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).