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

C18H19N5O2 — CID 175945018

IUPAC8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc2c1NCCN2c1cc2cncnc2n(CCO)c1=O
InChIInChI=1S/C18H19N5O2/c1-12-3-2-4-14-16(12)20-5-6-22(14)15-9-13-10-19-11-21-17(13)23(7-8-24)18(15)25/h2-4,9-11,20,24H,5-8H2,1H3
InChIKeyBBAQNNBPNXEEQF-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.66
Rot. Bonds3

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

8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 175945018) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID175945018
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cccc2c1NCCN2c1cc2cncnc2n(CCO)c1=O
InChIInChI=1S/C18H19N5O2/c1-12-3-2-4-14-16(12)20-5-6-22(14)15-9-13-10-19-11-21-17(13)23(7-8-24)18(15)25/h2-4,9-11,20,24H,5-8H2,1H3
InChIKeyBBAQNNBPNXEEQF-UHFFFAOYSA-N
XLogP1.66
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one (CID 175945018) is 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1cccc2c1NCCN2c1cc2cncnc2n(CCO)c1=O.
What is the InChIKey of 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is BBAQNNBPNXEEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-3-2-4-14-16(12)20-5-6-22(14)15-9-13-10-19-11-21-17(13)23(7-8-24)18(15)25/h2-4,9-11,20,24H,5-8H2,1H3.
What are the key properties of 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one?
8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 337.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethyl)-6-(5-methyl-3,4-dihydro-2H-quinoxalin-1-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 175945018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).