7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C15H15ClFN3O — CID 100765296

IUPAC7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C15H15ClFN3O/c1-19-9-18-14-8-20(5-4-12(14)15(19)21)7-10-2-3-11(17)6-13(10)16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyHNXJLRMBUVSZPM-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.13
Rot. Bonds2

About 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 100765296) has the molecular formula C15H15ClFN3O and a molecular weight of 307.76 g/mol. Its IUPAC name is 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID100765296
Molecular FormulaC15H15ClFN3O
Molecular Weight307.76 g/mol
Exact Mass307.09
IUPAC Name7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCn1cnc2c(c1=O)CCN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C15H15ClFN3O/c1-19-9-18-14-8-20(5-4-12(14)15(19)21)7-10-2-3-11(17)6-13(10)16/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyHNXJLRMBUVSZPM-UHFFFAOYSA-N
XLogP2.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2-chloro-4-fluorophenyl)methyl]-2-cyclopropyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135864217
N-[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146130676
6-[(2-chloro-4-fluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929159
[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol
CID 90653014
5-[(3R)-1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 95228997
5-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56759008
7-[(2-chloro-4-fluorophenyl)methyl]-2-pyridin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepine
CID 162627119
7-[(2,4-difluorophenyl)methyl]-2-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863644
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972

Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 100765296) is 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cn1cnc2c(c1=O)CCN(Cc1ccc(F)cc1Cl)C2.
What is the InChIKey of 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HNXJLRMBUVSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O/c1-19-9-18-14-8-20(5-4-12(14)15(19)21)7-10-2-3-11(17)6-13(10)16/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 307.76 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 100765296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).