2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one

C19H23N3O2 — CID 91951725

IUPAC2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc2c(c1)CCCN2C(=O)Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C19H23N3O2/c1-12-7-8-17-15(10-12)6-5-9-22(17)18(23)11-16-13(2)19(24)21(4)14(3)20-16/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyNLJJPEPLFAVSET-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.23
Rot. Bonds2

About 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one

2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 91951725) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID91951725
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESCc1ccc2c(c1)CCCN2C(=O)Cc1nc(C)n(C)c(=O)c1C
InChIInChI=1S/C19H23N3O2/c1-12-7-8-17-15(10-12)6-5-9-22(17)18(23)11-16-13(2)19(24)21(4)14(3)20-16/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyNLJJPEPLFAVSET-UHFFFAOYSA-N
XLogP2.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one with MolForge

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Related Compounds

1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 78776221
2-tert-butylsulfanyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762105
2-anilino-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;hydrochloride
CID 119685862
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
2-[3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 19591085
3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72841521
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143675185
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 135093963

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 91951725) is 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one is Cc1ccc2c(c1)CCCN2C(=O)Cc1nc(C)n(C)c(=O)c1C.
What is the InChIKey of 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is NLJJPEPLFAVSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-7-8-17-15(10-12)6-5-9-22(17)18(23)11-16-13(2)19(24)21(4)14(3)20-16/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one?
2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 325.41 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-6-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 91951725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).