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

C20H22N2O4 — CID 66502657

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCCO2)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C20H22N2O4/c23-19(15-11-14-4-1-2-5-16(14)22-20(15)24)21-12-13-6-7-17-18(10-13)26-9-3-8-25-17/h6-7,10-11H,1-5,8-9,12H2,(H,21,23)(H,22,24)
InChIKeyCZVKVTVSEUMPPM-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.35
Rot. Bonds3

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 66502657) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID66502657
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCCCO2)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C20H22N2O4/c23-19(15-11-14-4-1-2-5-16(14)22-20(15)24)21-12-13-6-7-17-18(10-13)26-9-3-8-25-17/h6-7,10-11H,1-5,8-9,12H2,(H,21,23)(H,22,24)
InChIKeyCZVKVTVSEUMPPM-UHFFFAOYSA-N
XLogP2.35
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 154748320
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 46971082
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 66502679
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 127842404
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 51499107
3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylurea
CID 66502369
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 72928083
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-hydroxyacetamide
CID 115139805

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 66502657) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is O=C(NCc1ccc2c(c1)OCCCO2)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is CZVKVTVSEUMPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(15-11-14-4-1-2-5-16(14)22-20(15)24)21-12-13-6-7-17-18(10-13)26-9-3-8-25-17/h6-7,10-11H,1-5,8-9,12H2,(H,21,23)(H,22,24).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66502657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).