4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one

C22H15ClN4O — CID 1068828

IUPAC4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc2N1
InChIInChI=1S/C22H15ClN4O/c23-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)26-22(25-17)27-13-20(28)24-18-8-4-5-9-19(18)27/h1-12H,13H2,(H,24,28)
InChIKeyBTBITJAXKKTZJJ-UHFFFAOYSA-N
MW386.84 g/mol
LogP5.04
Rot. Bonds2

About 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one

4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 1068828) has the molecular formula C22H15ClN4O and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID1068828
Molecular FormulaC22H15ClN4O
Molecular Weight386.84 g/mol
Exact Mass386.09
IUPAC Name4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc2N1
InChIInChI=1S/C22H15ClN4O/c23-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)26-22(25-17)27-13-20(28)24-18-8-4-5-9-19(18)27/h1-12H,13H2,(H,24,28)
InChIKeyBTBITJAXKKTZJJ-UHFFFAOYSA-N
XLogP5.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one (CID 1068828) is 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one is O=C1CN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c2ccccc2N1.
What is the InChIKey of 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BTBITJAXKKTZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4O/c23-15-10-11-17-16(12-15)21(14-6-2-1-3-7-14)26-22(25-17)27-13-20(28)24-18-8-4-5-9-19(18)27/h1-12H,13H2,(H,24,28).
What are the key properties of 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one?
4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 386.84 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-phenylquinazolin-2-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 1068828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).