2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C15H13N5 — CID 114738407

IUPAC2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1cnc2cc(-c3ncc4c(n3)CCNC4)ccc2n1
InChIInChI=1S/C15H13N5/c1-2-13-14(18-6-5-17-13)7-10(1)15-19-9-11-8-16-4-3-12(11)20-15/h1-2,5-7,9,16H,3-4,8H2
InChIKeyGRJMSAHBTVPFQU-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.73
Rot. Bonds1

About 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738407) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738407
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESc1cnc2cc(-c3ncc4c(n3)CCNC4)ccc2n1
InChIInChI=1S/C15H13N5/c1-2-13-14(18-6-5-17-13)7-10(1)15-19-9-11-8-16-4-3-12(11)20-15/h1-2,5-7,9,16H,3-4,8H2
InChIKeyGRJMSAHBTVPFQU-UHFFFAOYSA-N
XLogP1.73
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738324
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280
6-(4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)quinoxaline
CID 114740932
3-fluoro-4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzonitrile
CID 118174417
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
2-(4-ethylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740532
6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
CID 114740551
5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-ylmethanol;hydrochloride
CID 170900386
3-chloro-N-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)benzamide
CID 68680322
2-quinolin-6-yl-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941091
2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738456
6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline
CID 62873862

Frequently Asked Questions

What is the IUPAC name of 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738407) is 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is c1cnc2cc(-c3ncc4c(n3)CCNC4)ccc2n1.
What is the InChIKey of 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is GRJMSAHBTVPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c1-2-13-14(18-6-5-17-13)7-10(1)15-19-9-11-8-16-4-3-12(11)20-15/h1-2,5-7,9,16H,3-4,8H2.
What are the key properties of 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 263.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinoxalin-6-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).