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

C21H24N4O3 — CID 128969912

IUPAC7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N3c4ccccc4CCC3C)c2=O)C1
InChIInChI=1S/C21H24N4O3/c1-14-7-8-16-5-3-4-6-19(16)25(14)20(27)12-24-13-22-18-11-23(15(2)26)10-9-17(18)21(24)28/h3-6,13-14H,7-12H2,1-2H3
InChIKeyRDYHOCTWGGRYMW-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.52
Rot. Bonds2

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

7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128969912) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128969912
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)N1CCc2c(ncn(CC(=O)N3c4ccccc4CCC3C)c2=O)C1
InChIInChI=1S/C21H24N4O3/c1-14-7-8-16-5-3-4-6-19(16)25(14)20(27)12-24-13-22-18-11-23(15(2)26)10-9-17(18)21(24)28/h3-6,13-14H,7-12H2,1-2H3
InChIKeyRDYHOCTWGGRYMW-UHFFFAOYSA-N
XLogP1.52
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128969912) is 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(=O)N1CCc2c(ncn(CC(=O)N3c4ccccc4CCC3C)c2=O)C1.
What is the InChIKey of 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RDYHOCTWGGRYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-7-8-16-5-3-4-6-19(16)25(14)20(27)12-24-13-22-18-11-23(15(2)26)10-9-17(18)21(24)28/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128969912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).