5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

C15H15N3O2 — CID 110857161

IUPAC5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C15H15N3O2/c1-10-16-9-12(14(19)17-10)15(20)18-8-4-6-11-5-2-3-7-13(11)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17,19)
InChIKeyJOXDOMPYCNNYJC-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.67
Rot. Bonds1

About 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one

5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 110857161) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID110857161
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCc3ccccc32)c(=O)[nH]1
InChIInChI=1S/C15H15N3O2/c1-10-16-9-12(14(19)17-10)15(20)18-8-4-6-11-5-2-3-7-13(11)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17,19)
InChIKeyJOXDOMPYCNNYJC-UHFFFAOYSA-N
XLogP1.67
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
(5-bromo-2-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65307202
3,4-dihydro-2H-quinolin-1-yl-[3-(methylamino)-4-pyridinyl]methanone
CID 105068094
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-2-pyridinyl)-2-oxoacetamide
CID 108505780
3,4-dihydro-2H-quinolin-1-yl-[2-(2-methylphenoxy)-3-pyridinyl]methanone
CID 67379820

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one (CID 110857161) is 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCc3ccccc32)c(=O)[nH]1.
What is the InChIKey of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JOXDOMPYCNNYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-16-9-12(14(19)17-10)15(20)18-8-4-6-11-5-2-3-7-13(11)18/h2-3,5,7,9H,4,6,8H2,1H3,(H,16,17,19).
What are the key properties of 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one?
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 269.30 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 110857161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).