N-(3-chloro-4-fluorophenyl)quinazolin-4-amine

C14H9ClFN3 — CID 725409

IUPACN-(3-chloro-4-fluorophenyl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C14H9ClFN3/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyODUHDKRYKFSJAH-UHFFFAOYSA-N
MW273.70 g/mol
LogP4.17
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)quinazolin-4-amine (PubChem CID 725409) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)quinazolin-4-amine
PubChem CID725409
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC NameN-(3-chloro-4-fluorophenyl)quinazolin-4-amine
SMILESFc1ccc(Nc2ncnc3ccccc23)cc1Cl
InChIInChI=1S/C14H9ClFN3/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyODUHDKRYKFSJAH-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)quinazoline-4,6-diamine;hydrochloride
CID 21217673
2-chloro-1-N-phenyl-4-N-quinazolin-4-ylbenzene-1,4-diamine
CID 57151753
N-(3-chloro-4-fluorophenyl)-6-phenylselanylquinazolin-4-amine
CID 88532585
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]urea
CID 127048977
6-N-(3-chloro-4-fluorophenyl)-4-N-(3,4-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22546908
N-naphthalen-2-ylquinazolin-4-amine
CID 110434772
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-difluorophenyl)methyl]quinazoline-4,6-diamine
CID 156755708
N-(3-chloro-4-fluorophenyl)-7-(1H-imidazol-2-yl)quinazolin-4-amine
CID 69017255
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylquinazolin-4-amine
CID 21003823
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23373693
N-(3-chloro-4-fluorophenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine
CID 10216482

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)quinazolin-4-amine (CID 725409) is N-(3-chloro-4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)quinazolin-4-amine is Fc1ccc(Nc2ncnc3ccccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
The InChIKey is ODUHDKRYKFSJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-11-7-9(5-6-12(11)16)19-14-10-3-1-2-4-13(10)17-8-18-14/h1-8H,(H,17,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)quinazolin-4-amine has a molecular weight of 273.70 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 725409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).