(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone

C18H20N2O2 — CID 91907650

IUPAC(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1cccc(C)c1)C2
InChIInChI=1S/C18H20N2O2/c1-3-22-17-8-7-15-12-20(10-9-16(15)19-17)18(21)14-6-4-5-13(2)11-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyMKACOMYQQHAVIC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.99
Rot. Bonds3

About (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone

(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone (PubChem CID 91907650) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
PubChem CID91907650
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1cccc(C)c1)C2
InChIInChI=1S/C18H20N2O2/c1-3-22-17-8-7-15-12-20(10-9-16(15)19-17)18(21)14-6-4-5-13(2)11-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyMKACOMYQQHAVIC-UHFFFAOYSA-N
XLogP2.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917861
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-methylpyrazol-3-yl)methanone
CID 110876371
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(2-ethylpyrazol-3-yl)methanone
CID 91917868
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
(3-methylphenyl)-(4-methyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-11-yl)methanone
CID 90628348
(3-ethoxy-5-methylphenyl)-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 142341724
[7-(1-hydroxypropyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methylphenyl)methanone
CID 82175773
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
CID 91917893
(3-methoxyphenyl)-(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)methanone
CID 24731407

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone?
The IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone (CID 91907650) is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone is CCOc1ccc2c(n1)CCN(C(=O)c1cccc(C)c1)C2.
What is the InChIKey of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone?
The InChIKey is MKACOMYQQHAVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-17-8-7-15-12-20(10-9-16(15)19-17)18(21)14-6-4-5-13(2)11-14/h4-8,11H,3,9-10,12H2,1-2H3.
What are the key properties of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone?
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone is sourced from PubChem (CID 91907650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).