2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one

C14H11N3O — CID 136769639

IUPAC2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc3cccnc3c2)cc(=O)[nH]1
InChIInChI=1S/C14H11N3O/c1-9-16-13(8-14(18)17-9)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18)
InChIKeyHMDPNMOUTRWOMH-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.29
Rot. Bonds1

About 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one

2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one (PubChem CID 136769639) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
PubChem CID136769639
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc3cccnc3c2)cc(=O)[nH]1
InChIInChI=1S/C14H11N3O/c1-9-16-13(8-14(18)17-9)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18)
InChIKeyHMDPNMOUTRWOMH-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxymethyl)-4-quinolin-7-yl-1H-pyrimidin-6-one
CID 136769647
2-methyl-4-quinolin-8-yl-1H-pyrimidin-6-one
CID 136769621
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
2-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]-1H-pyrimidin-6-one
CID 137084170
N,4-dimethyl-6-quinolin-7-ylpyrimidin-2-amine
CID 81221352
7-(6-bromo-2-pyridinyl)quinoline
CID 81221969
2-methyl-4-[5-(4-methylphenyl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 135474929
2-methylsulfanyl-4-quinoxalin-6-yl-1H-pyrimidin-6-one
CID 135884447
4-quinolin-7-yl-2H-phthalazin-1-one
CID 106519755
7-(4-chloro-2-pyridinyl)quinoline
CID 102825160
2-methyl-4-quinolin-7-ylaniline
CID 81223886
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one (CID 136769639) is 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccc3cccnc3c2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one?
The InChIKey is HMDPNMOUTRWOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9-16-13(8-14(18)17-9)11-5-4-10-3-2-6-15-12(10)7-11/h2-8H,1H3,(H,16,17,18).
What are the key properties of 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one?
2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one has a molecular weight of 237.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-quinolin-7-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136769639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).