2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H20N6O2 — CID 136707048

IUPAC2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cccc2nccnc12)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C20H20N6O2/c27-18-13-6-11-26(12-16(13)23-20(24-18)25-9-1-2-10-25)19(28)14-4-3-5-15-17(14)22-8-7-21-15/h3-5,7-8H,1-2,6,9-12H2,(H,23,24,27)
InChIKeyWLLLTYNQTMYPQI-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.51
Rot. Bonds2

About 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136707048) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136707048
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cccc2nccnc12)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1
InChIInChI=1S/C20H20N6O2/c27-18-13-6-11-26(12-16(13)23-20(24-18)25-9-1-2-10-25)19(28)14-4-3-5-15-17(14)22-8-7-21-15/h3-5,7-8H,1-2,6,9-12H2,(H,23,24,27)
InChIKeyWLLLTYNQTMYPQI-UHFFFAOYSA-N
XLogP1.51
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1-ethylpyrazole-4-carbonyl)-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707049
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
7-(2-cyclopropylquinoline-4-carbonyl)-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719643
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-(2-fluorobenzoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136888273
1-(quinoxaline-5-carbonyl)azetidine-3-carboxylic acid
CID 113433187
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257
7-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707050
7-[2-(3,4-dimethoxyphenyl)acetyl]-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719594
7-(3,4-dimethoxybenzoyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707059
7-(1-ethyl-5-methylpyrazole-4-carbonyl)-2-(4-methylpiperidin-1-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719613
(2R)-1-(quinoxaline-5-carbonyl)piperidine-2-carboxylic acid
CID 104614152
7-[2-(4-hydroxyphenyl)acetyl]-2-morpholin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136707014

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136707048) is 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1cccc2nccnc12)N1CCc2c(nc(N3CCCC3)[nH]c2=O)C1.
What is the InChIKey of 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WLLLTYNQTMYPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-18-13-6-11-26(12-16(13)23-20(24-18)25-9-1-2-10-25)19(28)14-4-3-5-15-17(14)22-8-7-21-15/h3-5,7-8H,1-2,6,9-12H2,(H,23,24,27).
What are the key properties of 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 376.42 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-7-(quinoxaline-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136707048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).