6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one

C17H14ClN3O — CID 134810959

IUPAC6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H14ClN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2
InChIKeyQSNAGRSADYHTMM-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.52
Rot. Bonds3

About 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134810959) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134810959
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(CC2CC2)c2ccc(-c3ccc(Cl)cc3)nc12
InChIInChI=1S/C17H14ClN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2
InChIKeyQSNAGRSADYHTMM-UHFFFAOYSA-N
XLogP3.52
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Chloro-4-fluorophenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810852
3-[(4-Chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 741272
3-(2,4-Difluorophenyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134808323
3-Methyl-6-[3-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134808333
1-Benzyl-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810710
1-Benzyl-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810897
1-(Cyclopropylmethyl)-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810941
1-(Cyclopropylmethyl)-6-(2,4-difluorophenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810982
7-Chloro-2-phenyl-3-pyridin-3-ylquinazolin-4-one
CID 137636989
3-(2-Methoxyethyl)-6-phenylpyrido[3,2-d]pyrimidin-4-one
CID 134810878
3-Cyclopropyl-6-[2-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-one
CID 134810797
3,6-Diphenylpyrido[3,2-d]pyrimidin-4-one
CID 134805254

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one (CID 134810959) is 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(CC2CC2)c2ccc(-c3ccc(Cl)cc3)nc12.
What is the InChIKey of 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is QSNAGRSADYHTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-5-3-12(4-6-13)14-7-8-15-16(20-14)17(22)19-10-21(15)9-11-1-2-11/h3-8,10-11H,1-2,9H2.
What are the key properties of 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 311.77 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134810959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).