7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine

C15H11ClFN3 — CID 1490539

IUPAC7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H11ClFN3/c16-11-3-6-13-14(7-11)19-9-20-15(13)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,19,20)
InChIKeyFCWJFTUGQBCNPV-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.03
Rot. Bonds3

About 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine

7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine (PubChem CID 1490539) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
PubChem CID1490539
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESFc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C15H11ClFN3/c16-11-3-6-13-14(7-11)19-9-20-15(13)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,19,20)
InChIKeyFCWJFTUGQBCNPV-UHFFFAOYSA-N
XLogP4.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine (CID 1490539) is 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine is Fc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is FCWJFTUGQBCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-3-6-13-14(7-11)19-9-20-15(13)18-8-10-1-4-12(17)5-2-10/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine?
7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 287.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-fluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1490539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).