3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone

C16H15NO2 — CID 102647067

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
SMILESCc1cc(C(=O)C2=CCCCO2)nc2ccccc12
InChIInChI=1S/C16H15NO2/c1-11-10-14(16(18)15-8-4-5-9-19-15)17-13-7-3-2-6-12(11)13/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyTXYHQUNOMIMZGC-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.42
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone (PubChem CID 102647067) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
PubChem CID102647067
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone
SMILESCc1cc(C(=O)C2=CCCCO2)nc2ccccc12
InChIInChI=1S/C16H15NO2/c1-11-10-14(16(18)15-8-4-5-9-19-15)17-13-7-3-2-6-12(11)13/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyTXYHQUNOMIMZGC-UHFFFAOYSA-N
XLogP3.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone (CID 102647067) is 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone is Cc1cc(C(=O)C2=CCCCO2)nc2ccccc12.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone?
The InChIKey is TXYHQUNOMIMZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-10-14(16(18)15-8-4-5-9-19-15)17-13-7-3-2-6-12(11)13/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone has a molecular weight of 253.30 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-methylquinolin-2-yl)methanone is sourced from PubChem (CID 102647067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).