7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline

C15H9Cl2FN2 — CID 157045306

IUPAC7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline
SMILESCc1ncc2c(-c3ccc(Cl)cc3F)cc(Cl)cc2n1
InChIInChI=1S/C15H9Cl2FN2/c1-8-19-7-13-12(4-10(17)6-15(13)20-8)11-3-2-9(16)5-14(11)18/h2-7H,1H3
InChIKeyNLAFXOHNUCBMAK-UHFFFAOYSA-N
MW307.16 g/mol
LogP5.05
Rot. Bonds1

About 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline

7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline (PubChem CID 157045306) has the molecular formula C15H9Cl2FN2 and a molecular weight of 307.16 g/mol. Its IUPAC name is 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline.

Molecular Properties

Compound Name7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline
PubChem CID157045306
Molecular FormulaC15H9Cl2FN2
Molecular Weight307.16 g/mol
Exact Mass306.01
IUPAC Name7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline
SMILESCc1ncc2c(-c3ccc(Cl)cc3F)cc(Cl)cc2n1
InChIInChI=1S/C15H9Cl2FN2/c1-8-19-7-13-12(4-10(17)6-15(13)20-8)11-3-2-9(16)5-14(11)18/h2-7H,1H3
InChIKeyNLAFXOHNUCBMAK-UHFFFAOYSA-N
XLogP5.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.16
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline?
The IUPAC name of 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline (CID 157045306) is 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline.
What is the SMILES notation for 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline?
The canonical SMILES for 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline is Cc1ncc2c(-c3ccc(Cl)cc3F)cc(Cl)cc2n1.
What is the InChIKey of 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline?
The InChIKey is NLAFXOHNUCBMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2/c1-8-19-7-13-12(4-10(17)6-15(13)20-8)11-3-2-9(16)5-14(11)18/h2-7H,1H3.
What are the key properties of 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline?
7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline has a molecular weight of 307.16 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chloro-2-fluorophenyl)-2-methylquinazoline is sourced from PubChem (CID 157045306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).