4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

C16H15ClN4O2 — CID 156599522

IUPAC4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22)
InChIKeyJFFNCFQJSOVJEN-UHFFFAOYSA-N
MW330.78 g/mol
LogP2.72
Rot. Bonds2

About 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 156599522) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID156599522
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2c1CCC2
InChIInChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22)
InChIKeyJFFNCFQJSOVJEN-UHFFFAOYSA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

7-methoxy-4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3,4-dihydroquinoxalin-2(1H)-one
CID 156599523
8-[butyl(ethyl)amino]-4-(4-methoxy-2-methylphenyl)-6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one
CID 11417694
4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one
CID 71543088
4-(2-chloroquinazolin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 137645573
4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 137653815
4-[Butyl(ethyl)amino]-8-(4-methoxy-2-methylphenyl)-2-methyl-5,6,7,8-tetrahydropteridin-6-one
CID 24768330
4-(2-chloropyrido[3,2-d]pyrimidin-4-yl)-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one
CID 139592925
7-Methoxy-4-[2-(methylamino)quinazolin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 137650154
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 655328
7-methoxy-1-methyl-4-(2-methylquinazolin-4-yl)-3H-quinoxalin-2-one
CID 71541770
7-Methoxy-4-(2,5,6-trimethylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 164609773
4-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
CID 164610962

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 156599522) is 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2c1CCC2.
What is the InChIKey of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is JFFNCFQJSOVJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-23-9-5-6-13-12(7-9)18-14(22)8-21(13)15-10-3-2-4-11(10)19-16(17)20-15/h5-7H,2-4,8H2,1H3,(H,18,22).
What are the key properties of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 330.78 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 156599522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).