2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid

C15H17N3O3 — CID 115485636

IUPAC2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(N)c2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-15(2,14(20)21)18(3)13(19)12-8-10(16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H2,16,17)(H,20,21)
InChIKeyOZDBMDSADKVCSS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.75
Rot. Bonds3

About 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 115485636) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID115485636
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(N)c2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-15(2,14(20)21)18(3)13(19)12-8-10(16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H2,16,17)(H,20,21)
InChIKeyOZDBMDSADKVCSS-UHFFFAOYSA-N
XLogP1.75
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-2-carboxamide
CID 79385801
4-amino-N-methyl-N-phenylquinoline-2-carboxamide
CID 63375205
4-amino-N-(2-amino-2-oxoethyl)-N-methylquinoline-2-carboxamide
CID 115349399
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2-cyanoethyl)-N-methylquinoline-2-carboxamide
CID 63377285
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
CID 103102039
4-amino-N-(cyclobutylmethyl)-N-methylquinoline-2-carboxamide
CID 63375463
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
4-amino-N-carbamoylquinoline-2-carboxamide
CID 18770494
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]quinoline-2-carboxamide
CID 63375694
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid (CID 115485636) is 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)c1cc(N)c2ccccc2n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is OZDBMDSADKVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-15(2,14(20)21)18(3)13(19)12-8-10(16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H2,16,17)(H,20,21).
What are the key properties of 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 287.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminoquinoline-2-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115485636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).