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

C19H18N2O4 — CID 18103136

IUPACN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc2N1
InChIInChI=1S/C19H18N2O4/c22-18-7-3-12-10-13(2-5-15(12)21-18)19(23)20-14-4-6-16-17(11-14)25-9-1-8-24-16/h2,4-6,10-11H,1,3,7-9H2,(H,20,23)(H,21,22)
InChIKeyZHYMZZPYSYXFFX-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.98
Rot. Bonds2

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

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 18103136) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID18103136
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc2N1
InChIInChI=1S/C19H18N2O4/c22-18-7-3-12-10-13(2-5-15(12)21-18)19(23)20-14-4-6-16-17(11-14)25-9-1-8-24-16/h2,4-6,10-11H,1,3,7-9H2,(H,20,23)(H,21,22)
InChIKeyZHYMZZPYSYXFFX-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
4-fluoro-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571284
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18114889
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-(2-chloro-4-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 102712636
3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 24532097
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 30780885
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 18103136) is N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)Nc3ccc4c(c3)OCCCO4)ccc2N1.
What is the InChIKey of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is ZHYMZZPYSYXFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-18-7-3-12-10-13(2-5-15(12)21-18)19(23)20-14-4-6-16-17(11-14)25-9-1-8-24-16/h2,4-6,10-11H,1,3,7-9H2,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.98, 2 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-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 18103136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).