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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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).