4-amino-7-chloro-6-nitroquinoline-3-carbonitrile

C10H5ClN4O2 — CID 174425555

IUPAC4-amino-7-chloro-6-nitroquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Cl)c([N+](=O)[O-])cc2c1N
InChIInChI=1S/C10H5ClN4O2/c11-7-2-8-6(1-9(7)15(16)17)10(13)5(3-12)4-14-8/h1-2,4H,(H2,13,14)
InChIKeyHMOZJZVDVGJWDN-UHFFFAOYSA-N
MW248.63 g/mol
LogP2.25
Rot. Bonds1

About 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile

4-amino-7-chloro-6-nitroquinoline-3-carbonitrile (PubChem CID 174425555) has the molecular formula C10H5ClN4O2 and a molecular weight of 248.63 g/mol. Its IUPAC name is 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-amino-7-chloro-6-nitroquinoline-3-carbonitrile
PubChem CID174425555
Molecular FormulaC10H5ClN4O2
Molecular Weight248.63 g/mol
Exact Mass248.01
IUPAC Name4-amino-7-chloro-6-nitroquinoline-3-carbonitrile
SMILESN#Cc1cnc2cc(Cl)c([N+](=O)[O-])cc2c1N
InChIInChI=1S/C10H5ClN4O2/c11-7-2-8-6(1-9(7)15(16)17)10(13)5(3-12)4-14-8/h1-2,4H,(H2,13,14)
InChIKeyHMOZJZVDVGJWDN-UHFFFAOYSA-N
XLogP2.25
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.63
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile 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

4,7-diamino-6-nitroquinoline-3-carbonitrile
CID 141088251
4-chloro-5-nitrobenzene-1,2-dicarbonitrile
CID 18931016
7-chloro-4-(N-chloro-5-methoxy-2-methylanilino)-6-nitroquinoline-3-carbonitrile
CID 86608813
4-chloro-6-nitro-7-propan-2-yloxyquinoline-3-carbonitrile
CID 71425068
4-(4-chloro-2-fluoroanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile
CID 22466695
2-(6-chloro-7-nitro-[1,3]dithiolo[4,5-b]quinoxalin-2-ylidene)propanedinitrile
CID 19770829
4-chloro-5-methyl-6-nitroquinoline-3-carbonitrile
CID 69257904
5-chloro-2-methoxy-4-nitrobenzonitrile
CID 154102599
2-amino-3-chloro-5-nitrobenzonitrile;hydrochloride
CID 158520022
4-chloro-3-nitrobenzonitrile;ethane
CID 143546279
2-[(7-chloro-6-nitro-4-oxoquinazolin-3-yl)methyl]pentanedinitrile
CID 42942595
4-amino-8-chloro-5-fluoroquinoline-3-carbonitrile
CID 107531231

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile?
The IUPAC name of 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile (CID 174425555) is 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile.
What is the SMILES notation for 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile?
The canonical SMILES for 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile is N#Cc1cnc2cc(Cl)c([N+](=O)[O-])cc2c1N.
What is the InChIKey of 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile?
The InChIKey is HMOZJZVDVGJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN4O2/c11-7-2-8-6(1-9(7)15(16)17)10(13)5(3-12)4-14-8/h1-2,4H,(H2,13,14).
What are the key properties of 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile?
4-amino-7-chloro-6-nitroquinoline-3-carbonitrile has a molecular weight of 248.63 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-6-nitroquinoline-3-carbonitrile is sourced from PubChem (CID 174425555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).