6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one

C19H23N3O — CID 99601648

IUPAC6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1CCN1CCCc2ccccc21
InChIInChI=1S/C19H23N3O/c23-19-13-17(15-6-3-7-15)20-14-22(19)12-11-21-10-4-8-16-5-1-2-9-18(16)21/h1-2,5,9,13-15H,3-4,6-8,10-12H2
InChIKeyITOSAORVGBGODR-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.96
Rot. Bonds4

About 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one

6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 99601648) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one
PubChem CID99601648
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one
SMILESO=c1cc(C2CCC2)ncn1CCN1CCCc2ccccc21
InChIInChI=1S/C19H23N3O/c23-19-13-17(15-6-3-7-15)20-14-22(19)12-11-21-10-4-8-16-5-1-2-9-18(16)21/h1-2,5,9,13-15H,3-4,6-8,10-12H2
InChIKeyITOSAORVGBGODR-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
4-tert-butyl-1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-2-one
CID 138058047
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
N-[5-(3,4-dihydro-2H-quinolin-1-yl)pentyl]cyclopropanamine
CID 55069946
1-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79577598
1-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-(2-methylphenyl)urea
CID 121120589
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2,2-diphenylacetamide
CID 121120062
6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 121120412

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one (CID 99601648) is 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one is O=c1cc(C2CCC2)ncn1CCN1CCCc2ccccc21.
What is the InChIKey of 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is ITOSAORVGBGODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19-13-17(15-6-3-7-15)20-14-22(19)12-11-21-10-4-8-16-5-1-2-9-18(16)21/h1-2,5,9,13-15H,3-4,6-8,10-12H2.
What are the key properties of 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one?
6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 309.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 99601648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).