2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C14H10ClN3O2 — CID 135899274

IUPAC2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C14H10ClN3O2/c15-10-5-1-2-6-11(10)20-8-12-17-13-9(14(19)18-12)4-3-7-16-13/h1-7H,8H2,(H,16,17,18,19)
InChIKeyPDPWRJZLRJZNJX-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899274) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899274
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COc2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C14H10ClN3O2/c15-10-5-1-2-6-11(10)20-8-12-17-13-9(14(19)18-12)4-3-7-16-13/h1-7H,8H2,(H,16,17,18,19)
InChIKeyPDPWRJZLRJZNJX-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-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

2-(naphthalen-1-yloxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899276
5-chloro-2-[(2-chlorophenoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135419005
2-(1,2,4-triazol-1-ylmethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899195
2-(3-phenoxypropoxy)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899320
2-(pyridin-3-yloxymethyl)-3H-quinazolin-4-one
CID 136926494
4-oxo-3H-pyrido[2,3-d]pyrimidine-2-carbonitrile
CID 137211979
8-[(2-chlorophenoxy)methyl]quinoline
CID 60705460
4-[(2-chlorophenoxy)methyl]quinoline
CID 79241295
2-[(2-chlorophenoxy)methyl]-1H-imidazole-5-carboxylic acid
CID 117187269
2-(2-phenylethenyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137175854
8-methyl-2-[(2-nitrophenoxy)methyl]-3H-quinazolin-4-one
CID 135823962
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899274) is 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COc2ccccc2Cl)nc2ncccc12.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PDPWRJZLRJZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-10-5-1-2-6-11(10)20-8-12-17-13-9(14(19)18-12)4-3-7-16-13/h1-7H,8H2,(H,16,17,18,19).
What are the key properties of 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 287.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).