6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

C20H18ClN3O2 — CID 163366195

IUPAC6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyJGGWDOQWGIOWLK-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.10
Rot. Bonds3

About 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one

6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 163366195) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID163366195
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12
InChIInChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3
InChIKeyJGGWDOQWGIOWLK-UHFFFAOYSA-N
XLogP4.10
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one (CID 163366195) is 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is Cc1c(C(=O)c2ccccc2)c(=O)n(C2CCCC2)c2nc(Cl)ncc12.
What is the InChIKey of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JGGWDOQWGIOWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-12-15-11-22-20(21)23-18(15)24(14-9-5-6-10-14)19(26)16(12)17(25)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3.
What are the key properties of 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one?
6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 367.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 163366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).