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

C18H22N2O3S — CID 97390053

IUPAC1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N2O3S/c1-23-11-10-20-16-7-9-19(8-6-14(16)4-5-17(20)21)18(22)13-15-3-2-12-24-15/h2-5,12H,6-11,13H2,1H3
InChIKeyZARIZKVBAAIVBV-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.73
Rot. Bonds5

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

1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (PubChem CID 97390053) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
PubChem CID97390053
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
SMILESCOCCn1c2c(ccc1=O)CCN(C(=O)Cc1cccs1)CC2
InChIInChI=1S/C18H22N2O3S/c1-23-11-10-20-16-7-9-19(8-6-14(16)4-5-17(20)21)18(22)13-15-3-2-12-24-15/h2-5,12H,6-11,13H2,1H3
InChIKeyZARIZKVBAAIVBV-UHFFFAOYSA-N
XLogP1.73
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(2-methoxyethyl)-6-methyl-N-[(3-methyl-2-thienyl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 50955298
N-(2-methoxyethyl)-1-methyl-6-oxo-N-(2-thienylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 50961651
1-[2-(Dimethylamino)ethyl]-7-(thiophene-2-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390045
1-(2-Methoxyethyl)-7-(2-thiophen-3-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 97390054
1-Ethyl-5-({4-[2-(thiophen-2-YL)acetyl]piperazin-1-YL}methyl)-1,2-dihydropyridin-2-one
CID 53191696
1-methyl-5-({4-[2-(2-thienyl)acetyl]piperazino}methyl)-2(1H)-pyridinone
CID 53191711
1-ethyl-5-{[(2-methoxyethyl)(2-thienylmethyl)amino]methyl}-2(1H)-pyridinone
CID 53191757
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-thiophen-2-ylacetamide
CID 8243527
1-(3,5-Dimethylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 71683936
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 47420869
1-{2-[2-(Morpholin-4-YL)ethyl]piperidin-1-YL}-2-(thiophen-2-YL)ethan-1-one
CID 53193421
N-(1-methyl-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl)-2-thiophen-2-ylacetamide
CID 131649190

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one (CID 97390053) is 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is COCCn1c2c(ccc1=O)CCN(C(=O)Cc1cccs1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
The InChIKey is ZARIZKVBAAIVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-23-11-10-20-16-7-9-19(8-6-14(16)4-5-17(20)21)18(22)13-15-3-2-12-24-15/h2-5,12H,6-11,13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one?
1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one has a molecular weight of 346.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-(2-thiophen-2-ylacetyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one is sourced from PubChem (CID 97390053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).