(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide

C13H13ClN4O2 — CID 116785317

IUPAC(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O
InChIInChI=1S/C13H13ClN4O2/c1-7(12(15)18-20)13(19)17-10-5-4-9(14)8-3-2-6-16-11(8)10/h2-7,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyCNIDHZUWLJUMRF-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.21
Rot. Bonds3

About (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide

(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide (PubChem CID 116785317) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
PubChem CID116785317
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O
InChIInChI=1S/C13H13ClN4O2/c1-7(12(15)18-20)13(19)17-10-5-4-9(14)8-3-2-6-16-11(8)10/h2-7,20H,1H3,(H2,15,18)(H,17,19)
InChIKeyCNIDHZUWLJUMRF-UHFFFAOYSA-N
XLogP2.21
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide 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

2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 116785318
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
3-amino-N-(3-chloro-2-methylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926908
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-[(5-chloroquinolin-8-yl)amino]-N-propan-2-ylpropanamide
CID 116783987
2-bromo-N-(8-chloroquinolin-5-yl)propanamide
CID 107903962
1-(5-chloroquinolin-8-yl)-3-propan-2-ylthiourea
CID 115577732
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-quinolin-8-ylbutanamide
CID 76925148

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide?
The IUPAC name of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide (CID 116785317) is (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide.
What is the SMILES notation for (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide?
The canonical SMILES for (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide is CC(C(=O)Nc1ccc(Cl)c2cccnc12)/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide?
The InChIKey is CNIDHZUWLJUMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-7(12(15)18-20)13(19)17-10-5-4-9(14)8-3-2-6-16-11(8)10/h2-7,20H,1H3,(H2,15,18)(H,17,19).
What are the key properties of (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide?
(3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide has a molecular weight of 292.73 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-(5-chloroquinolin-8-yl)-3-hydroxyimino-2-methylpropanamide is sourced from PubChem (CID 116785317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).