N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide

C24H20N2O4 — CID 27557623

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O4/c27-23(18-8-11-21-22(14-18)30-15-29-21)25-19-9-10-20-17(13-19)7-4-12-26(20)24(28)16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,25,27)
InChIKeyCYCWZCMMMVIVFN-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.26
Rot. Bonds3

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 27557623) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID27557623
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C24H20N2O4/c27-23(18-8-11-21-22(14-18)30-15-29-21)25-19-9-10-20-17(13-19)7-4-12-26(20)24(28)16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,25,27)
InChIKeyCYCWZCMMMVIVFN-UHFFFAOYSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 112506085
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 121084310
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 7658024
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-fluorobenzamide
CID 27557625
N-[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]-1,3-benzodioxole-5-carboxamide
CID 7517340
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-1,3-benzodioxole-5-carboxamide
CID 27549201
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
3-amino-N-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]benzamide
CID 19607806
N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080913
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide (CID 27557623) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is CYCWZCMMMVIVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-23(18-8-11-21-22(14-18)30-15-29-21)25-19-9-10-20-17(13-19)7-4-12-26(20)24(28)16-5-2-1-3-6-16/h1-3,5-6,8-11,13-14H,4,7,12,15H2,(H,25,27).
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 27557623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).