2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one

C24H18ClN3O — CID 102489521

IUPAC2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2cccc(N3C(=O)c4ccccc4NC3c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H18ClN3O/c1-15-9-10-16-5-4-8-21(22(16)26-15)28-23(17-11-13-18(25)14-12-17)27-20-7-3-2-6-19(20)24(28)29/h2-14,23,27H,1H3
InChIKeyDZALVLPLJLADDC-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.97
Rot. Bonds2

About 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one

2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 102489521) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one
PubChem CID102489521
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc2cccc(N3C(=O)c4ccccc4NC3c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C24H18ClN3O/c1-15-9-10-16-5-4-8-21(22(16)26-15)28-23(17-11-13-18(25)14-12-17)27-20-7-3-2-6-19(20)24(28)29/h2-14,23,27H,1H3
InChIKeyDZALVLPLJLADDC-UHFFFAOYSA-N
XLogP5.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one (CID 102489521) is 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one is Cc1ccc2cccc(N3C(=O)c4ccccc4NC3c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is DZALVLPLJLADDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c1-15-9-10-16-5-4-8-21(22(16)26-15)28-23(17-11-13-18(25)14-12-17)27-20-7-3-2-6-19(20)24(28)29/h2-14,23,27H,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one?
2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 399.88 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-methylquinolin-8-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 102489521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).