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

C23H16ClN3O — CID 3803702

IUPAC2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESO=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-17-9-6-8-16(13-17)22-26-21-19(14-15-7-4-5-12-20(15)25-21)23(28)27(22)18-10-2-1-3-11-18/h1-14,22H,(H,25,26)
InChIKeyHTBGYJRGMWXZPJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP5.66
Rot. Bonds2

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

2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (PubChem CID 3803702) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
PubChem CID3803702
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one
SMILESO=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1ccccc1
InChIInChI=1S/C23H16ClN3O/c24-17-9-6-8-16(13-17)22-26-21-19(14-15-7-4-5-12-20(15)25-21)23(28)27(22)18-10-2-1-3-11-18/h1-14,22H,(H,25,26)
InChIKeyHTBGYJRGMWXZPJ-UHFFFAOYSA-N
XLogP5.66
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one (CID 3803702) is 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is O=C1c2cc3ccccc3nc2NC(c2cccc(Cl)c2)N1c1ccccc1.
What is the InChIKey of 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
The InChIKey is HTBGYJRGMWXZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c24-17-9-6-8-16(13-17)22-26-21-19(14-15-7-4-5-12-20(15)25-21)23(28)27(22)18-10-2-1-3-11-18/h1-14,22H,(H,25,26).
What are the key properties of 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one?
2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one has a molecular weight of 385.85 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-4-one is sourced from PubChem (CID 3803702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).