5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide

C16H19N3O3 — CID 82212683

IUPAC5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
SMILESCC(O)CNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C16H19N3O3/c1-9(20)7-18-16(22)11-8-19(10-5-6-10)13-4-2-3-12(17)14(13)15(11)21/h2-4,8-10,20H,5-7,17H2,1H3,(H,18,22)
InChIKeyRJSZMTOBYGMKLU-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide

5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide (PubChem CID 82212683) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
PubChem CID82212683
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
SMILESCC(O)CNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C16H19N3O3/c1-9(20)7-18-16(22)11-8-19(10-5-6-10)13-4-2-3-12(17)14(13)15(11)21/h2-4,8-10,20H,5-7,17H2,1H3,(H,18,22)
InChIKeyRJSZMTOBYGMKLU-UHFFFAOYSA-N
XLogP1.03
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
5-amino-N-(furan-2-ylmethyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 82212516

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide (CID 82212683) is 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide is CC(O)CNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is RJSZMTOBYGMKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-9(20)7-18-16(22)11-8-19(10-5-6-10)13-4-2-3-12(17)14(13)15(11)21/h2-4,8-10,20H,5-7,17H2,1H3,(H,18,22).
What are the key properties of 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide?
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).