8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

C19H17N3O3 — CID 47079447

IUPAC8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(COc3ccc4c(c3)CCC(=O)N4)nc2c1
InChIInChI=1S/C19H17N3O3/c1-12-6-7-22-17(8-12)20-14(10-19(22)24)11-25-15-3-4-16-13(9-15)2-5-18(23)21-16/h3-4,6-10H,2,5,11H2,1H3,(H,21,23)
InChIKeyDMELNVIWVYDPEU-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.47
Rot. Bonds3

About 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47079447) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47079447
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(COc3ccc4c(c3)CCC(=O)N4)nc2c1
InChIInChI=1S/C19H17N3O3/c1-12-6-7-22-17(8-12)20-14(10-19(22)24)11-25-15-3-4-16-13(9-15)2-5-18(23)21-16/h3-4,6-10H,2,5,11H2,1H3,(H,21,23)
InChIKeyDMELNVIWVYDPEU-UHFFFAOYSA-N
XLogP2.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

1-[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]-3-phenylurea
CID 46356408
4-methoxy-N-[3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 50802599
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
methyl 4-[[4-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]carbamoylamino]benzoate
CID 46356426
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-methylbenzoate
CID 166189496
6-[(3-chlorophenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 47420565
6-[(6-hydrazinyl-3-pyridinyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 62244306
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate
CID 16605331
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18089260
N-[4-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356435

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (CID 47079447) is 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(COc3ccc4c(c3)CCC(=O)N4)nc2c1.
What is the InChIKey of 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DMELNVIWVYDPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-6-7-22-17(8-12)20-14(10-19(22)24)11-25-15-3-4-16-13(9-15)2-5-18(23)21-16/h3-4,6-10H,2,5,11H2,1H3,(H,21,23).
What are the key properties of 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 335.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47079447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).