N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine

C20H12Cl2FN3 — CID 134817436

IUPACN-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
SMILESFc1ccc(-c2nc(Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C20H12Cl2FN3/c21-13-7-10-16(22)18(11-13)25-20-15-3-1-2-4-17(15)24-19(26-20)12-5-8-14(23)9-6-12/h1-11H,(H,24,25,26)
InChIKeySSVNBIVEPWFUMU-UHFFFAOYSA-N
MW384.24 g/mol
LogP6.49
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine

N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine (PubChem CID 134817436) has the molecular formula C20H12Cl2FN3 and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
PubChem CID134817436
Molecular FormulaC20H12Cl2FN3
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine
SMILESFc1ccc(-c2nc(Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C20H12Cl2FN3/c21-13-7-10-16(22)18(11-13)25-20-15-3-1-2-4-17(15)24-19(26-20)12-5-8-14(23)9-6-12/h1-11H,(H,24,25,26)
InChIKeySSVNBIVEPWFUMU-UHFFFAOYSA-N
XLogP6.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-yloxyphenyl)quinazolin-4-amine
CID 3712512
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
4-N-(5-chloro-2-fluorophenyl)-2-N-methylquinazoline-2,4-diamine
CID 80773567
2-chloro-N-(2,4-dichlorophenyl)quinazolin-4-amine
CID 22692895
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
2-N,2-N-dimethyl-1-N-(2-phenylquinazolin-4-yl)benzene-1,2-diamine
CID 159596198
4-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline
CID 56807096
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine (CID 134817436) is N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine is Fc1ccc(-c2nc(Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine?
The InChIKey is SSVNBIVEPWFUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3/c21-13-7-10-16(22)18(11-13)25-20-15-3-1-2-4-17(15)24-19(26-20)12-5-8-14(23)9-6-12/h1-11H,(H,24,25,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine?
N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine has a molecular weight of 384.24 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 134817436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).