3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one

C22H16ClN5O2 — CID 10093442

IUPAC3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one
SMILESO=C1NCCN1c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-15-7-10-19(25-13-15)28-20(26-18-4-2-1-3-17(18)21(28)29)14-5-8-16(9-6-14)27-12-11-24-22(27)30/h1-10,13H,11-12H2,(H,24,30)
InChIKeyYOQOZXPKYRPKFX-UHFFFAOYSA-N
MW417.86 g/mol
LogP3.63
Rot. Bonds3

About 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one

3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one (PubChem CID 10093442) has the molecular formula C22H16ClN5O2 and a molecular weight of 417.86 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one
PubChem CID10093442
Molecular FormulaC22H16ClN5O2
Molecular Weight417.86 g/mol
Exact Mass417.10
IUPAC Name3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one
SMILESO=C1NCCN1c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H16ClN5O2/c23-15-7-10-19(25-13-15)28-20(26-18-4-2-1-3-17(18)21(28)29)14-5-8-16(9-6-14)27-12-11-24-22(27)30/h1-10,13H,11-12H2,(H,24,30)
InChIKeyYOQOZXPKYRPKFX-UHFFFAOYSA-N
XLogP3.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.86
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-pyridinyl)-2-[4-(1-methylpyrrol-2-yl)phenyl]quinazolin-4-one
CID 10070304
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030
3-(5-chloro-2-pyridinyl)-2-[4-[1-[2-(ethylamino)ethyl]pyrrol-2-yl]phenyl]quinazolin-4-one
CID 10050373
3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one
CID 22240489
1-(4-chloroquinolin-2-yl)imidazolidin-2-one
CID 13130953
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
3-(5-methyl-2-pyridinyl)-2-pyridin-2-ylquinazolin-4-one
CID 102475909
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
CID 716780
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
3-(2-chloro-3-pyridinyl)-2-phenylquinazolin-4-one
CID 134092940

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one (CID 10093442) is 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one is O=C1NCCN1c1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Cl)cn2)cc1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one?
The InChIKey is YOQOZXPKYRPKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5O2/c23-15-7-10-19(25-13-15)28-20(26-18-4-2-1-3-17(18)21(28)29)14-5-8-16(9-6-14)27-12-11-24-22(27)30/h1-10,13H,11-12H2,(H,24,30).
What are the key properties of 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one?
3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one has a molecular weight of 417.86 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one is sourced from PubChem (CID 10093442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).