6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one

C18H12ClN5O — CID 162498529

IUPAC6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(Nc2ncccn2)n1-c1ccccc1
InChIInChI=1S/C18H12ClN5O/c19-12-7-8-15-14(11-12)16(25)24(13-5-2-1-3-6-13)18(22-15)23-17-20-9-4-10-21-17/h1-11H,(H,20,21,22,23)
InChIKeyJTCKXCGUTNPVGS-UHFFFAOYSA-N
MW349.78 g/mol
LogP3.57
Rot. Bonds3

About 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one

6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one (PubChem CID 162498529) has the molecular formula C18H12ClN5O and a molecular weight of 349.78 g/mol. Its IUPAC name is 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
PubChem CID162498529
Molecular FormulaC18H12ClN5O
Molecular Weight349.78 g/mol
Exact Mass349.07
IUPAC Name6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2nc(Nc2ncccn2)n1-c1ccccc1
InChIInChI=1S/C18H12ClN5O/c19-12-7-8-15-14(11-12)16(25)24(13-5-2-1-3-6-13)18(22-15)23-17-20-9-4-10-21-17/h1-11H,(H,20,21,22,23)
InChIKeyJTCKXCGUTNPVGS-UHFFFAOYSA-N
XLogP3.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[(6-chloro-4-oxo-3-phenylquinazolin-2-yl)amino]benzonitrile
CID 162495453
6-chloro-N,1-diphenylbenzimidazol-2-amine
CID 46854683
2-[(5-chloro-3-pyridinyl)amino]-6-fluoro-3-phenylquinazolin-4-one
CID 156896984
3-(3-chlorophenyl)-6-fluoro-2-(pyridin-3-ylamino)quinazolin-4-one
CID 162498515
3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
CID 22609425
2-[2-chloro-4-(hydroxymethyl)anilino]-6-fluoro-3-phenylquinazolin-4-one
CID 162495443
6-chloro-3-(2-methylphenyl)-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 18362976
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
6-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)amino]-3-phenylquinazolin-4-one
CID 162498369
6-chloro-2-[2-(2-fluorophenyl)ethenyl]-3-(2-methyl-3-pyridinyl)quinazolin-4-one
CID 54092688
6-fluoro-2-[(3-methoxy-4-pyridinyl)amino]-3-phenylquinazolin-4-one
CID 162498372

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one?
The IUPAC name of 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one (CID 162498529) is 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one?
The canonical SMILES for 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one is O=c1c2cc(Cl)ccc2nc(Nc2ncccn2)n1-c1ccccc1.
What is the InChIKey of 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one?
The InChIKey is JTCKXCGUTNPVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O/c19-12-7-8-15-14(11-12)16(25)24(13-5-2-1-3-6-13)18(22-15)23-17-20-9-4-10-21-17/h1-11H,(H,20,21,22,23).
What are the key properties of 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one?
6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one has a molecular weight of 349.78 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-2-(pyrimidin-2-ylamino)quinazolin-4-one is sourced from PubChem (CID 162498529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).