8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one

C22H18ClN5O — CID 176820017

IUPAC8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILES[2H]c1ncc2cc(N3CCNc4c(C)cccc43)c(=O)n(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H18ClN5O/c1-14-4-2-7-18-20(14)25-8-9-27(18)19-10-15-12-24-13-26-21(15)28(22(19)29)17-6-3-5-16(23)11-17/h2-7,10-13,25H,8-9H2,1H3/i13D
InChIKeyDDEYXPFWRABARZ-YSOHJTORSA-N
MW404.88 g/mol
LogP4.31
Rot. Bonds2

About 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one

8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 176820017) has the molecular formula C22H18ClN5O and a molecular weight of 404.88 g/mol. Its IUPAC name is 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID176820017
Molecular FormulaC22H18ClN5O
Molecular Weight404.88 g/mol
Exact Mass404.13
IUPAC Name8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILES[2H]c1ncc2cc(N3CCNc4c(C)cccc43)c(=O)n(-c3cccc(Cl)c3)c2n1
InChIInChI=1S/C22H18ClN5O/c1-14-4-2-7-18-20(14)25-8-9-27(18)19-10-15-12-24-13-26-21(15)28(22(19)29)17-6-3-5-16(23)11-17/h2-7,10-13,25H,8-9H2,1H3/i13D
InChIKeyDDEYXPFWRABARZ-YSOHJTORSA-N
XLogP4.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175945018
2-(cyclopropylamino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-8-(oxolan-3-yl)pyrido[2,3-d]pyrimidin-7-one
CID 169232783
ethane;8-[2-[ethyl(methyl)amino]ethyl]-2-(3-methoxyanilino)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
CID 177005281
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylpyridin-2-amine
CID 83970369
4-(3-chlorophenyl)-2,3-dihydro-1H-quinoxaline
CID 117006745
N-[3-[2-amino-6-(5-methyl-4-prop-2-enoyl-2,3-dihydroquinoxalin-1-yl)-7-oxopyrido[2,3-d]pyrimidin-8-yl]phenyl]prop-2-enamide
CID 177218490
4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80757578
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
1-(3-chlorophenyl)-3-(3-pyridin-4-ylpropyl)-1,8-naphthyridin-2-one
CID 18002648
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171334440
6-bromo-4-(3-chlorophenyl)-2-ethoxy-[1,3]thiazolo[4,5-b]pyridin-5-one
CID 163253600

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (CID 176820017) is 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is [2H]c1ncc2cc(N3CCNc4c(C)cccc43)c(=O)n(-c3cccc(Cl)c3)c2n1.
What is the InChIKey of 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DDEYXPFWRABARZ-YSOHJTORSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-14-4-2-7-18-20(14)25-8-9-27(18)19-10-15-12-24-13-26-21(15)28(22(19)29)17-6-3-5-16(23)11-17/h2-7,10-13,25H,8-9H2,1H3/i13D.
What are the key properties of 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 404.88 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorophenyl)-2-deuterio-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 176820017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).