7-chloro-2-(4-fluorophenyl)quinazolin-4-amine

C14H9ClFN3 — CID 61026323

IUPAC7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H9ClFN3/c15-9-3-6-11-12(7-9)18-14(19-13(11)17)8-1-4-10(16)5-2-8/h1-7H,(H2,17,18,19)
InChIKeyDSQGEZBVXGBLSP-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.67
Rot. Bonds1

About 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine

7-chloro-2-(4-fluorophenyl)quinazolin-4-amine (PubChem CID 61026323) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
PubChem CID61026323
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H9ClFN3/c15-9-3-6-11-12(7-9)18-14(19-13(11)17)8-1-4-10(16)5-2-8/h1-7H,(H2,17,18,19)
InChIKeyDSQGEZBVXGBLSP-UHFFFAOYSA-N
XLogP3.67
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(3-fluoro-4-methoxyphenyl)quinazolin-4-amine
CID 64983945
7-fluoro-2-(3,4,5-trifluorophenyl)quinazolin-4-amine
CID 64983363
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
7-fluoro-2-(2,3,4-trifluorophenyl)quinazolin-4-amine
CID 79755415
2-(2-chlorophenyl)-7-fluoroquinazolin-4-amine
CID 64983741
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
6-chloro-2-[4-(dimethylamino)phenyl]quinazolin-4-amine
CID 64983672
7-fluoro-2-(3-methylphenyl)quinazolin-4-amine
CID 64983694
4,7-dichloro-2-(4-phenylphenyl)quinazoline
CID 87604357
7-chloro-2-(4,5-dimethylthiophen-2-yl)quinazolin-4-amine
CID 65238529
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine (CID 61026323) is 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine is Nc1nc(-c2ccc(F)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine?
The InChIKey is DSQGEZBVXGBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-9-3-6-11-12(7-9)18-14(19-13(11)17)8-1-4-10(16)5-2-8/h1-7H,(H2,17,18,19).
What are the key properties of 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine?
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine has a molecular weight of 273.70 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 61026323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).