(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone

C15H11N3O2 — CID 102950015

IUPAC(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3cccnc3c2)ncn1
InChIInChI=1S/C15H11N3O2/c1-20-14-8-13(17-9-18-14)15(19)11-5-4-10-3-2-6-16-12(10)7-11/h2-9H,1H3
InChIKeyPMEAGUDTNDZOFA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.26
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone

(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone (PubChem CID 102950015) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
PubChem CID102950015
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone
SMILESCOc1cc(C(=O)c2ccc3cccnc3c2)ncn1
InChIInChI=1S/C15H11N3O2/c1-20-14-8-13(17-9-18-14)15(19)11-5-4-10-3-2-6-16-12(10)7-11/h2-9H,1H3
InChIKeyPMEAGUDTNDZOFA-UHFFFAOYSA-N
XLogP2.26
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluoro-3-methoxyphenyl)-quinolin-7-ylmethanone
CID 115790996
(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102949992
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245
1-(6-methoxy-2-pyridinyl)-2-quinolin-6-ylethane-1,2-dione
CID 59869037
(2-bromo-4-methylphenyl)-quinolin-7-ylmethanone
CID 115790968
quinolin-7-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 115790977
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
2-(2-methoxyethoxy)-1-quinolin-7-ylethanone
CID 114032528

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone (CID 102950015) is (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone is COc1cc(C(=O)c2ccc3cccnc3c2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone?
The InChIKey is PMEAGUDTNDZOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-20-14-8-13(17-9-18-14)15(19)11-5-4-10-3-2-6-16-12(10)7-11/h2-9H,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone?
(6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone has a molecular weight of 265.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-quinolin-7-ylmethanone is sourced from PubChem (CID 102950015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).