N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide

C22H18N2O5 — CID 7517340

IUPACN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O5/c25-21(15-6-8-18-20(11-15)29-13-28-18)23-16-7-5-14-3-1-9-24(17(14)12-16)22(26)19-4-2-10-27-19/h2,4-8,10-12H,1,3,9,13H2,(H,23,25)
InChIKeyLJAHPFGFFVRMEO-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.85
Rot. Bonds3

About N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 7517340) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID7517340
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC NameN-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc2c(c1)OCO2
InChIInChI=1S/C22H18N2O5/c25-21(15-6-8-18-20(11-15)29-13-28-18)23-16-7-5-14-3-1-9-24(17(14)12-16)22(26)19-4-2-10-27-19/h2,4-8,10-12H,1,3,9,13H2,(H,23,25)
InChIKeyLJAHPFGFFVRMEO-UHFFFAOYSA-N
XLogP3.85
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylbenzamide
CID 7517345
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-propan-2-yloxybenzamide
CID 7517282
4-ethoxy-N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 7517320
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 27557623
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-3-pyrrol-1-ylbenzamide
CID 110303963
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-propan-2-yloxamide
CID 7687984
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-methoxyacetamide
CID 7517324
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-3-methylbutanamide
CID 7517311
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 9191529

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide (CID 7517340) is N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is LJAHPFGFFVRMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-21(15-6-8-18-20(11-15)29-13-28-18)23-16-7-5-14-3-1-9-24(17(14)12-16)22(26)19-4-2-10-27-19/h2,4-8,10-12H,1,3,9,13H2,(H,23,25).
What are the key properties of N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 7517340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).