4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one

C21H16ClN3O — CID 147655114

IUPAC4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one
SMILESO=c1nc(NCc2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C21H16ClN3O/c22-16-11-12-18-19(13-16)25(17-9-5-2-6-10-17)21(26)24-20(18)23-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24,26)
InChIKeyGKGIHUDGVWCACV-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.65
Rot. Bonds4

About 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one

4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one (PubChem CID 147655114) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one
PubChem CID147655114
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one
SMILESO=c1nc(NCc2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C21H16ClN3O/c22-16-11-12-18-19(13-16)25(17-9-5-2-6-10-17)21(26)24-20(18)23-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24,26)
InChIKeyGKGIHUDGVWCACV-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one?
The IUPAC name of 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one (CID 147655114) is 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one.
What is the SMILES notation for 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one?
The canonical SMILES for 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one is O=c1nc(NCc2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one?
The InChIKey is GKGIHUDGVWCACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-16-11-12-18-19(13-16)25(17-9-5-2-6-10-17)21(26)24-20(18)23-14-15-7-3-1-4-8-15/h1-13H,14H2,(H,23,24,26).
What are the key properties of 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one?
4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one has a molecular weight of 361.83 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-7-chloro-1-phenylquinazolin-2-one is sourced from PubChem (CID 147655114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).