1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

C17H24N2O4 — CID 134078748

IUPAC1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C17H24N2O4/c1-22-11-9-19-15-5-8-18(17(21)14-6-10-23-12-14)7-4-13(15)2-3-16(19)20/h2-3,14H,4-12H2,1H3
InChIKeyLZIABNFFWXCNQJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.46
Rot. Bonds4

About 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one

1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 134078748) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID134078748
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)C1CCOC1)CC2
InChIInChI=1S/C17H24N2O4/c1-22-11-9-19-15-5-8-18(17(21)14-6-10-23-12-14)7-4-13(15)2-3-16(19)20/h2-3,14H,4-12H2,1H3
InChIKeyLZIABNFFWXCNQJ-UHFFFAOYSA-N
XLogP0.46
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-7-(oxolan-3-yl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 134073501
2-(2-methoxyethyl)-9-[(3R)-oxolane-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 98897249
7-(6-methylpyridine-3-carbonyl)-1-(oxan-4-ylmethyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 155871441
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-[(3R)-oxolane-3-carbonyl]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 26317666
methyl 9-[2-(2-fluorophenyl)ethoxy]-7-oxo-3-(oxolane-3-carbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45218569
(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-[(3S)-oxolan-3-yl]methanone
CID 175915760
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45165138
N-[1-(2-methoxyethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]-1H-pyrrole-3-carboxamide
CID 131682929
[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 50846781
1-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 104753376

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 134078748) is 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is COCCn1c2c(ccc1=O)CCN(C(=O)C1CCOC1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is LZIABNFFWXCNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-11-9-19-15-5-8-18(17(21)14-6-10-23-12-14)7-4-13(15)2-3-16(19)20/h2-3,14H,4-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 320.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 134078748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).