N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine

C20H12ClF2N3 — CID 53329758

IUPACN-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
SMILESFc1cccc(-c2nc(Nc3cccc(Cl)c3)c3cc(F)ccc3n2)c1
InChIInChI=1S/C20H12ClF2N3/c21-13-4-2-6-16(10-13)24-20-17-11-15(23)7-8-18(17)25-19(26-20)12-3-1-5-14(22)9-12/h1-11H,(H,24,25,26)
InChIKeyKEXYQZIIBLTWMP-UHFFFAOYSA-N
MW367.79 g/mol
LogP5.97
Rot. Bonds3

About N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine

N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine (PubChem CID 53329758) has the molecular formula C20H12ClF2N3 and a molecular weight of 367.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
PubChem CID53329758
Molecular FormulaC20H12ClF2N3
Molecular Weight367.79 g/mol
Exact Mass367.07
IUPAC NameN-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
SMILESFc1cccc(-c2nc(Nc3cccc(Cl)c3)c3cc(F)ccc3n2)c1
InChIInChI=1S/C20H12ClF2N3/c21-13-4-2-6-16(10-13)24-20-17-11-15(23)7-8-18(17)25-19(26-20)12-3-1-5-14(22)9-12/h1-11H,(H,24,25,26)
InChIKeyKEXYQZIIBLTWMP-UHFFFAOYSA-N
XLogP5.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.79
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol
CID 53329929
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
CID 64983813
6-bromo-N,2-diphenylquinazolin-4-amine
CID 23910410
4-chloro-6-fluoro-2-(3-methylphenyl)quinazoline
CID 63084323
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
2-N-(3-chlorophenyl)-4-N-phenylquinazoline-2,4-diamine
CID 46850879
4-(3-chloro-4-fluoroanilino)-2-pyridin-3-ylquinazoline-6-carboxamide
CID 71180061
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
4-chloro-2-(3-fluorophenyl)-N,N-dimethylquinazolin-6-amine
CID 114591379
6-chloro-N-(3-methoxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274424

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine (CID 53329758) is N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine is Fc1cccc(-c2nc(Nc3cccc(Cl)c3)c3cc(F)ccc3n2)c1.
What is the InChIKey of N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The InChIKey is KEXYQZIIBLTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2N3/c21-13-4-2-6-16(10-13)24-20-17-11-15(23)7-8-18(17)25-19(26-20)12-3-1-5-14(22)9-12/h1-11H,(H,24,25,26).
What are the key properties of N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine has a molecular weight of 367.79 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 53329758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).