2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C16H14ClN3O2 — CID 135899154

IUPAC2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C16H14ClN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)
InChIKeyKQUCIKCGSACFBV-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899154) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899154
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2Cl)nc2ncccc12
InChIInChI=1S/C16H14ClN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)
InChIKeyKQUCIKCGSACFBV-UHFFFAOYSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2-phenylacetate
CID 2477493
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 10385575
2-(2-o-Tolyl-ethoxymethyl)-3h-pyrido[2,3-d]pyrimidin-4-one
CID 135899153
2-((3-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899178
2-((3-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899198
2-(4-phenylbutoxy)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899300
2-Phenethyloxymethyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135899321
2-((2-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899322
2-((4-fluorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899325
2-(2-m-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136127017
2-chloro-N-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]-3-phenylbenzamide
CID 166631179
2-((4-chlorophenethyloxy)methyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899108

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899154) is 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COCCc2ccccc2Cl)nc2ncccc12.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is KQUCIKCGSACFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-13-6-2-1-4-11(13)7-9-22-10-14-19-15-12(16(21)20-14)5-3-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21).
What are the key properties of 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 315.76 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).