3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane

C17H20N2O — CID 143489580

IUPAC3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
SMILESC.Cc1cccc(C(=O)N2CCCc3cnccc32)c1
InChIInChI=1S/C16H16N2O.CH4/c1-12-4-2-5-13(10-12)16(19)18-9-3-6-14-11-17-8-7-15(14)18;/h2,4-5,7-8,10-11H,3,6,9H2,1H3;1H4
InChIKeyHTUFBMUWWSJDIZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.62
Rot. Bonds1

About 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane

3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane (PubChem CID 143489580) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane.

Molecular Properties

Compound Name3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
PubChem CID143489580
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane
SMILESC.Cc1cccc(C(=O)N2CCCc3cnccc32)c1
InChIInChI=1S/C16H16N2O.CH4/c1-12-4-2-5-13(10-12)16(19)18-9-3-6-14-11-17-8-7-15(14)18;/h2,4-5,7-8,10-11H,3,6,9H2,1H3;1H4
InChIKeyHTUFBMUWWSJDIZ-UHFFFAOYSA-N
XLogP3.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane?
The IUPAC name of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane (CID 143489580) is 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane.
What is the SMILES notation for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane?
The canonical SMILES for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane is C.Cc1cccc(C(=O)N2CCCc3cnccc32)c1.
What is the InChIKey of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane?
The InChIKey is HTUFBMUWWSJDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.CH4/c1-12-4-2-5-13(10-12)16(19)18-9-3-6-14-11-17-8-7-15(14)18;/h2,4-5,7-8,10-11H,3,6,9H2,1H3;1H4.
What are the key properties of 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane?
3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane has a molecular weight of 268.36 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,6-naphthyridin-1-yl-(3-methylphenyl)methanone;methane is sourced from PubChem (CID 143489580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).