(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C15H15N3O2 — CID 102950203

IUPAC(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOc1cc(C(=O)C2CCCc3cccnc32)ncn1
InChIInChI=1S/C15H15N3O2/c1-20-13-8-12(17-9-18-13)15(19)11-6-2-4-10-5-3-7-16-14(10)11/h3,5,7-9,11H,2,4,6H2,1H3
InChIKeyCQMZFOKRZUGWIK-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.18
Rot. Bonds3

About (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 102950203) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID102950203
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESCOc1cc(C(=O)C2CCCc3cccnc32)ncn1
InChIInChI=1S/C15H15N3O2/c1-20-13-8-12(17-9-18-13)15(19)11-6-2-4-10-5-3-7-16-14(10)11/h3,5,7-9,11H,2,4,6H2,1H3
InChIKeyCQMZFOKRZUGWIK-UHFFFAOYSA-N
XLogP2.18
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone with MolForge

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Related Compounds

(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
3-amino-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 116612266
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methoxy-1-methylpyrazol-3-yl)methanone
CID 114255283
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746265
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
(4-amino-3-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116547254

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 102950203) is (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is COc1cc(C(=O)C2CCCc3cccnc32)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is CQMZFOKRZUGWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-13-8-12(17-9-18-13)15(19)11-6-2-4-10-5-3-7-16-14(10)11/h3,5,7-9,11H,2,4,6H2,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(6-methoxypyrimidin-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 269.30 g/mol, XLogP of 2.18, 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)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 102950203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).