4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol

C14H8ClFN4O3 — CID 137285542

IUPAC4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O
InChIInChI=1S/C14H8ClFN4O3/c15-9-3-7(1-2-10(9)16)19-14-8-4-12(20(22)23)13(21)5-11(8)17-6-18-14/h1-6,21H,(H,17,18,19)
InChIKeyODEICIIOTUWISY-UHFFFAOYSA-N
MW334.69 g/mol
LogP3.78
Rot. Bonds3

About 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol

4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol (PubChem CID 137285542) has the molecular formula C14H8ClFN4O3 and a molecular weight of 334.69 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol
PubChem CID137285542
Molecular FormulaC14H8ClFN4O3
Molecular Weight334.69 g/mol
Exact Mass334.03
IUPAC Name4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol
SMILESO=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O
InChIInChI=1S/C14H8ClFN4O3/c15-9-3-7(1-2-10(9)16)19-14-8-4-12(20(22)23)13(21)5-11(8)17-6-18-14/h1-6,21H,(H,17,18,19)
InChIKeyODEICIIOTUWISY-UHFFFAOYSA-N
XLogP3.78
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.69
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol 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

7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
sodium;[4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-yl]methanol;N-(3-chloro-4-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine;methanol;hydroxide
CID 159595365
2-[2-[2-[4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-yl]oxyethoxy]ethoxy]ethanol
CID 10624089
N-(3-chloro-4-fluorophenyl)-6-nitro-7-(2,2,2-trifluoroethylsulfonyl)quinazolin-4-amine
CID 24743067
N-(3-chloro-4-fluorophenyl)-6-nitro-7-[2-(2,2,2-trifluoroethoxy)ethoxy]quinazolin-4-amine
CID 118900283
N-(3-chloro-4-fluorophenyl)-6-nitro-7-(3-oxabicyclo[3.1.0]hexan-6-ylmethoxy)quinazolin-4-amine
CID 90323893
6-N-(4-bromophenyl)-4-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533111
N-(3-chloro-4-fluorophenyl)-7-[(2-methylcyclopentyl)methoxy]-6-nitroquinazolin-4-amine
CID 126690002
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
6-chloro-7-nitro-N-phenylquinazolin-4-amine
CID 141449304
N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(1S,5S)-3-oxabicyclo[3.1.0]hexan-1-yl]methoxy]quinazolin-4-amine
CID 90323896
4-(3-chloro-4-fluoroanilino)-6-[2-(difluoromethoxy)ethoxy]quinazolin-7-ol
CID 137150071

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol (CID 137285542) is 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol is O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol?
The InChIKey is ODEICIIOTUWISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN4O3/c15-9-3-7(1-2-10(9)16)19-14-8-4-12(20(22)23)13(21)5-11(8)17-6-18-14/h1-6,21H,(H,17,18,19).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol?
4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol has a molecular weight of 334.69 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-6-nitroquinazolin-7-ol is sourced from PubChem (CID 137285542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).