7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one

C14H11Cl2N3O — CID 163223098

IUPAC7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one
SMILESO=C1Cc2c(Cl)nc(Cl)nc2CN1Cc1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-13-10-6-12(20)19(7-9-4-2-1-3-5-9)8-11(10)17-14(16)18-13/h1-5H,6-8H2
InChIKeyZCXCRZAHUDIZMG-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.87
Rot. Bonds2

About 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one

7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one (PubChem CID 163223098) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one
PubChem CID163223098
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one
SMILESO=C1Cc2c(Cl)nc(Cl)nc2CN1Cc1ccccc1
InChIInChI=1S/C14H11Cl2N3O/c15-13-10-6-12(20)19(7-9-4-2-1-3-5-9)8-11(10)17-14(16)18-13/h1-5H,6-8H2
InChIKeyZCXCRZAHUDIZMG-UHFFFAOYSA-N
XLogP2.87
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidin-7-one;6-benzyl-1,5-dihydropyrrolo[3,4-d]pyrimidine-2,4,7-trione
CID 157455893
6-[(4-methoxyphenyl)methyl]-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810342
2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 166056835
4-benzyl-3-oxopiperazine-1-carboxylic acid
CID 68915236
6-benzyl-3-(furan-3-yl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
CID 134810302
2,4-dichloro-7-(2-phenylethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidine
CID 170724844
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
1-benzyl-4-buta-1,3-dien-2-ylpiperazin-2-one
CID 91113767
1-benzyl-3,4-dichloro-2H-pyrrol-5-one
CID 22345347
7-benzyl-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one;ethane
CID 91284509
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
methyl 1-benzyl-4-hydroxy-6-oxo-2,5-dihydropyridine-3-carboxylate
CID 70295519

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one?
The IUPAC name of 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one (CID 163223098) is 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one?
The canonical SMILES for 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one is O=C1Cc2c(Cl)nc(Cl)nc2CN1Cc1ccccc1.
What is the InChIKey of 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one?
The InChIKey is ZCXCRZAHUDIZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c15-13-10-6-12(20)19(7-9-4-2-1-3-5-9)8-11(10)17-14(16)18-13/h1-5H,6-8H2.
What are the key properties of 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one?
7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one has a molecular weight of 308.17 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-2,4-dichloro-5,8-dihydropyrido[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 163223098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).