4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline

C22H16ClFN2 — CID 88854055

IUPAC4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline
SMILESCc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Cl)c2cc1C
InChIInChI=1S/C22H16ClFN2/c1-13-10-18-20(11-14(13)2)25-22(26-21(18)23)16-8-9-17(19(24)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyQYRCDWYATJKUBK-UHFFFAOYSA-N
MW362.84 g/mol
LogP6.37
Rot. Bonds2

About 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline

4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline (PubChem CID 88854055) has the molecular formula C22H16ClFN2 and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline
PubChem CID88854055
Molecular FormulaC22H16ClFN2
Molecular Weight362.84 g/mol
Exact Mass362.10
IUPAC Name4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline
SMILESCc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Cl)c2cc1C
InChIInChI=1S/C22H16ClFN2/c1-13-10-18-20(11-14(13)2)25-22(26-21(18)23)16-8-9-17(19(24)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyQYRCDWYATJKUBK-UHFFFAOYSA-N
XLogP6.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.84
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline?
The IUPAC name of 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline (CID 88854055) is 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline.
What is the SMILES notation for 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline?
The canonical SMILES for 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline is Cc1cc2nc(-c3ccc(-c4ccccc4)c(F)c3)nc(Cl)c2cc1C.
What is the InChIKey of 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline?
The InChIKey is QYRCDWYATJKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2/c1-13-10-18-20(11-14(13)2)25-22(26-21(18)23)16-8-9-17(19(24)12-16)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline?
4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline has a molecular weight of 362.84 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-fluoro-4-phenylphenyl)-6,7-dimethylquinazoline is sourced from PubChem (CID 88854055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).