2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C21H24N2O3 — CID 72928083

IUPAC2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCOc2ccccc2C1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H24N2O3/c24-20(17-12-15-5-1-3-7-18(15)23-21(17)25)22-13-14-9-10-26-19-8-4-2-6-16(19)11-14/h2,4,6,8,12,14H,1,3,5,7,9-11,13H2,(H,22,24)(H,23,25)
InChIKeyOIBGIZXWJAJHDB-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.62
Rot. Bonds3

About 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 72928083) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID72928083
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCOc2ccccc2C1)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C21H24N2O3/c24-20(17-12-15-5-1-3-7-18(15)23-21(17)25)22-13-14-9-10-26-19-8-4-2-6-16(19)11-14/h2,4,6,8,12,14H,1,3,5,7,9-11,13H2,(H,22,24)(H,23,25)
InChIKeyOIBGIZXWJAJHDB-UHFFFAOYSA-N
XLogP2.62
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 118790782
7-methyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 74236452
N-[(1-benzylpiperidin-4-yl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 136524582
N-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 97206782
2-oxo-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119463989
N-[(3-hydroxycyclohexyl)methyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 111460143
N-(cyclohex-3-en-1-ylmethyl)-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 71884873
2-ethyl-6-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-pyridine-4-carboxamide
CID 72900967
N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-1H-indole-6-carboxamide
CID 74242329
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 66502657
3-(2-amino-2-oxoethoxy)-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)benzamide
CID 72918967
1,6-dimethyl-4-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)pyridine-2-carboxamide
CID 118768778

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 72928083) is 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCC1CCOc2ccccc2C1)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is OIBGIZXWJAJHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(17-12-15-5-1-3-7-18(15)23-21(17)25)22-13-14-9-10-26-19-8-4-2-6-16(19)11-14/h2,4,6,8,12,14H,1,3,5,7,9-11,13H2,(H,22,24)(H,23,25).
What are the key properties of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 72928083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).