2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C18H27N3O2 — CID 163339047

IUPAC2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)CN1CCCCCC1)C2
InChIInChI=1S/C18H27N3O2/c1-2-23-17-8-7-15-13-21(12-9-16(15)19-17)18(22)14-20-10-5-3-4-6-11-20/h7-8H,2-6,9-14H2,1H3
InChIKeyLHYJQHDQKFPTKS-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.24
Rot. Bonds4

About 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 163339047) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
PubChem CID163339047
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)CN1CCCCCC1)C2
InChIInChI=1S/C18H27N3O2/c1-2-23-17-8-7-15-13-21(12-9-16(15)19-17)18(22)14-20-10-5-3-4-6-11-20/h7-8H,2-6,9-14H2,1H3
InChIKeyLHYJQHDQKFPTKS-UHFFFAOYSA-N
XLogP2.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834
(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
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
CID 91907650
N-(2,4-dimethylphenyl)-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917861
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 166696843
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-phenylethanone
CID 91917912
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 155471367

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The IUPAC name of 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 163339047) is 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.
What is the SMILES notation for 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The canonical SMILES for 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is CCOc1ccc2c(n1)CCN(C(=O)CN1CCCCCC1)C2.
What is the InChIKey of 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The InChIKey is LHYJQHDQKFPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-17-8-7-15-13-21(12-9-16(15)19-17)18(22)14-20-10-5-3-4-6-11-20/h7-8H,2-6,9-14H2,1H3.
What are the key properties of 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 163339047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).