2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine

C21H15ClFN3 — CID 88886857

IUPAC2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
SMILESFc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C21H15ClFN3/c22-21-25-18-11-5-10-17(15-7-2-1-3-8-15)19(18)20(26-21)24-13-14-6-4-9-16(23)12-14/h1-12H,13H2,(H,24,25,26)
InChIKeyQGQPTDUGFRLROL-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.70
Rot. Bonds4

About 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine

2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine (PubChem CID 88886857) has the molecular formula C21H15ClFN3 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
PubChem CID88886857
Molecular FormulaC21H15ClFN3
Molecular Weight363.82 g/mol
Exact Mass363.09
IUPAC Name2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine
SMILESFc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1
InChIInChI=1S/C21H15ClFN3/c22-21-25-18-11-5-10-17(15-7-2-1-3-8-15)19(18)20(26-21)24-13-14-6-4-9-16(23)12-14/h1-12H,13H2,(H,24,25,26)
InChIKeyQGQPTDUGFRLROL-UHFFFAOYSA-N
XLogP5.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine (CID 88886857) is 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine is Fc1cccc(CNc2nc(Cl)nc3cccc(-c4ccccc4)c23)c1.
What is the InChIKey of 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine?
The InChIKey is QGQPTDUGFRLROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3/c22-21-25-18-11-5-10-17(15-7-2-1-3-8-15)19(18)20(26-21)24-13-14-6-4-9-16(23)12-14/h1-12H,13H2,(H,24,25,26).
What are the key properties of 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine?
2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine has a molecular weight of 363.82 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-fluorophenyl)methyl]-5-phenylquinazolin-4-amine is sourced from PubChem (CID 88886857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).