1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one

C17H23N3O3 — CID 139014321

IUPAC1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one
SMILESCOC1CCCCN(CC(=O)N2CCCc3cccnc32)C1=O
InChIInChI=1S/C17H23N3O3/c1-23-14-8-2-3-10-19(17(14)22)12-15(21)20-11-5-7-13-6-4-9-18-16(13)20/h4,6,9,14H,2-3,5,7-8,10-12H2,1H3
InChIKeyGBQXALULWIAUFU-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one

1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one (PubChem CID 139014321) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one
PubChem CID139014321
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one
SMILESCOC1CCCCN(CC(=O)N2CCCc3cccnc32)C1=O
InChIInChI=1S/C17H23N3O3/c1-23-14-8-2-3-10-19(17(14)22)12-15(21)20-11-5-7-13-6-4-9-18-16(13)20/h4,6,9,14H,2-3,5,7-8,10-12H2,1H3
InChIKeyGBQXALULWIAUFU-UHFFFAOYSA-N
XLogP1.39
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-tetrahydropyrido[2,3-b]azepine-9-carboxylic acid
CID 154512709
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
3-(3,5-dimethylpyrazol-1-yl)-1-(5,6,7,8-tetrahydropyrido[2,3-b]azepin-9-yl)propan-1-one
CID 138030471
1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 71471886
N-[(3R)-2,6-dioxopiperidin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 154591723
N-(6-methylidene-2-oxopiperidin-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 162262770
3,4-dihydro-2H-1,8-naphthyridin-1-yl-(4-iodo-3-methylphenyl)methanone
CID 166241202
ethane;1-methyl-3,4-dihydro-2H-1,8-naphthyridine
CID 91237685
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
1-[2-[2-(cyclopropanecarbonyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-11-yl]-2-oxoethyl]pyrrolidin-2-one
CID 133070041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one?
The IUPAC name of 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one (CID 139014321) is 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one is COC1CCCCN(CC(=O)N2CCCc3cccnc32)C1=O.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one?
The InChIKey is GBQXALULWIAUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-14-8-2-3-10-19(17(14)22)12-15(21)20-11-5-7-13-6-4-9-18-16(13)20/h4,6,9,14H,2-3,5,7-8,10-12H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one?
1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-1,8-naphthyridin-1-yl)-2-oxoethyl]-3-methoxyazepan-2-one is sourced from PubChem (CID 139014321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).