2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one

C23H15Cl2N3O — CID 3698395

IUPAC2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESO=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H15Cl2N3O/c24-16-7-3-6-15(11-16)22-27-21-19(12-14-5-1-2-10-20(14)26-21)23(29)28(22)18-9-4-8-17(25)13-18/h1-13,22H,(H,26,27)
InChIKeyDBTZIMBSAJRZBI-UHFFFAOYSA-N
MW420.30 g/mol
LogP6.31
Rot. Bonds2

About 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one

2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one (PubChem CID 3698395) has the molecular formula C23H15Cl2N3O and a molecular weight of 420.30 g/mol. Its IUPAC name is 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one
PubChem CID3698395
Molecular FormulaC23H15Cl2N3O
Molecular Weight420.30 g/mol
Exact Mass419.06
IUPAC Name2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESO=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1cccc(Cl)c1
InChIInChI=1S/C23H15Cl2N3O/c24-16-7-3-6-15(11-16)22-27-21-19(12-14-5-1-2-10-20(14)26-21)23(29)28(22)18-9-4-8-17(25)13-18/h1-13,22H,(H,26,27)
InChIKeyDBTZIMBSAJRZBI-UHFFFAOYSA-N
XLogP6.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.30
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one (CID 3698395) is 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one is O=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1cccc(Cl)c1.
What is the InChIKey of 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is DBTZIMBSAJRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2N3O/c24-16-7-3-6-15(11-16)22-27-21-19(12-14-5-1-2-10-20(14)26-21)23(29)28(22)18-9-4-8-17(25)13-18/h1-13,22H,(H,26,27).
What are the key properties of 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 420.30 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(3-chlorophenyl)-1,2-dihydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 3698395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).