7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one

C25H29N5O3 — CID 162753615

IUPAC7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one
SMILESCOc1cc(N2CCN(C)c3cc(N4CCCCC4=O)ncc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C25H29N5O3/c1-16-11-18-19(28(3)25(16)32)12-17(33-4)13-20(18)29-10-9-27(2)21-14-23(26-15-22(21)29)30-8-6-5-7-24(30)31/h11-15H,5-10H2,1-4H3
InChIKeyJURFGZBHYPBATE-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.36
Rot. Bonds3

About 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one

7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one (PubChem CID 162753615) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one
PubChem CID162753615
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one
SMILESCOc1cc(N2CCN(C)c3cc(N4CCCCC4=O)ncc32)c2cc(C)c(=O)n(C)c2c1
InChIInChI=1S/C25H29N5O3/c1-16-11-18-19(28(3)25(16)32)12-17(33-4)13-20(18)29-10-9-27(2)21-14-23(26-15-22(21)29)30-8-6-5-7-24(30)31/h11-15H,5-10H2,1-4H3
InChIKeyJURFGZBHYPBATE-UHFFFAOYSA-N
XLogP3.36
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one with MolForge

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Related Compounds

N-[1-[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-7-yl]piperidin-3-yl]acetamide
CID 162754006
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(2-oxo-1H-pyrimidin-5-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 162753730
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-(1H-pyrazol-4-yl)-2,3-dihydroquinoxaline-6-carbonitrile
CID 177223817
[1,3-dimethyl-5-[1-methyl-7-(1-methylpyrazol-4-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]-2-oxoquinolin-7-yl] trifluoromethanesulfonate
CID 162753706
1-[7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-4-methyl-2,3-dihydroquinoxalin-6-yl]piperidine-4-carboxylic acid
CID 162753953
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-7-phenyl-2,3-dihydroquinoxaline-6-carbonitrile
CID 170288703
7-cyano-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-N,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
CID 162753983
5-(7-cyclopropyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-1,3-dimethyl-7-morpholin-4-ylquinolin-2-one
CID 162753608
7-(1-iodo-3,6-dihydro-2H-pyridin-4-yl)-4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxaline-6-carbonitrile
CID 167009109
N-[[4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-1-methyl-2,3-dihydroquinoxalin-6-yl]sulfonyl]acetamide
CID 162753865
4-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-2,3-dihydro-1H-quinoxaline-6-carbonitrile
CID 176949277
2-[4-[7-(difluoromethyl)-1-(7-methoxy-1,3-dimethyl-2-oxoquinolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]acetamide
CID 177223835

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one?
The IUPAC name of 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one (CID 162753615) is 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one.
What is the SMILES notation for 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one?
The canonical SMILES for 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one is COc1cc(N2CCN(C)c3cc(N4CCCCC4=O)ncc32)c2cc(C)c(=O)n(C)c2c1.
What is the InChIKey of 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one?
The InChIKey is JURFGZBHYPBATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-16-11-18-19(28(3)25(16)32)12-17(33-4)13-20(18)29-10-9-27(2)21-14-23(26-15-22(21)29)30-8-6-5-7-24(30)31/h11-15H,5-10H2,1-4H3.
What are the key properties of 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one?
7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one has a molecular weight of 447.54 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3-dimethyl-5-[1-methyl-7-(2-oxopiperidin-1-yl)-2,3-dihydropyrido[3,4-b]pyrazin-4-yl]quinolin-2-one is sourced from PubChem (CID 162753615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).