3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

C18H26N2O2 — CID 91917843

IUPAC3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C18H26N2O2/c1-2-22-17-9-8-15-13-20(12-11-16(15)19-17)18(21)10-7-14-5-3-4-6-14/h8-9,14H,2-7,10-13H2,1H3
InChIKeyIVBIIXYGEDUZBC-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.34
Rot. Bonds5

About 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (PubChem CID 91917843) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
PubChem CID91917843
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESCCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C18H26N2O2/c1-2-22-17-9-8-15-13-20(12-11-16(15)19-17)18(21)10-7-14-5-3-4-6-14/h8-9,14H,2-7,10-13H2,1H3
InChIKeyIVBIIXYGEDUZBC-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-ethoxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917863
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
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
tert-butyl 4-[6-(2-cyclopentylacetyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperidine-1-carboxylate
CID 170947691
1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-phenylethanone
CID 91917912
[2-(cyclopropylmethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 91917934
3-hydroxy-1-(2-methyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 129100147
3-cyclopentyl-1-[4-(4-ethylpiperazin-1-yl)-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 5040875

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (CID 91917843) is 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is CCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2.
What is the InChIKey of 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The InChIKey is IVBIIXYGEDUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-22-17-9-8-15-13-20(12-11-16(15)19-17)18(21)10-7-14-5-3-4-6-14/h8-9,14H,2-7,10-13H2,1H3.
What are the key properties of 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is sourced from PubChem (CID 91917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).