N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine

C14H9ClF2N4O — CID 130227832

IUPACN-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
SMILESONc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1F
InChIInChI=1S/C14H9ClF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20)
InChIKeyIQFVEUQNWMEXOC-UHFFFAOYSA-N
MW322.70 g/mol
LogP4.11
Rot. Bonds3

About N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine

N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine (PubChem CID 130227832) has the molecular formula C14H9ClF2N4O and a molecular weight of 322.70 g/mol. Its IUPAC name is N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
PubChem CID130227832
Molecular FormulaC14H9ClF2N4O
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC NameN-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
SMILESONc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1F
InChIInChI=1S/C14H9ClF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20)
InChIKeyIQFVEUQNWMEXOC-UHFFFAOYSA-N
XLogP4.11
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine 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

N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
6-bromo-N-(3-chloro-2-fluorophenyl)-7-(difluoromethoxy)quinazolin-4-amine
CID 146246322
N-(3-chloro-2-fluorophenyl)-6-(chloromethyl)-7-methoxyquinazolin-4-amine;ethane
CID 143086548
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-(methylaminomethyl)quinazolin-4-amine
CID 141120249
4-N-(3-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
CID 142692093
3-amino-N-[[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]methyl]propanamide
CID 69048732
4-N-(3-chloro-2-fluorophenyl)-7-[2-(difluoromethoxy)ethoxy]-6-N-methoxyquinazoline-4,6-diamine
CID 145347225
N-(3-chloro-2-fluorophenyl)-6-piperazin-1-ylquinazolin-4-amine
CID 166540128
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2538570
N-(3-chloro-2-fluorophenyl)-6,7-bis(oxolan-3-yloxy)quinazolin-4-amine
CID 24743956

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine?
The IUPAC name of N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine (CID 130227832) is N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine.
What is the SMILES notation for N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine?
The canonical SMILES for N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine is ONc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1F.
What is the InChIKey of N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine?
The InChIKey is IQFVEUQNWMEXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4O/c15-8-2-1-3-10(13(8)17)20-14-7-4-12(21-22)9(16)5-11(7)18-6-19-14/h1-6,21-22H,(H,18,19,20).
What are the key properties of N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine?
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine has a molecular weight of 322.70 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine is sourced from PubChem (CID 130227832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).