N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide

C25H18N2O2 — CID 167583586

IUPACN-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
SMILESO=C(NC1=CCc2ccccc21)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H18N2O2/c28-25(27-23-13-12-17-6-1-2-9-20(17)23)18-7-5-8-19(16-18)29-24-14-15-26-22-11-4-3-10-21(22)24/h1-11,13-16H,12H2,(H,27,28)
InChIKeyYXYJBFXFLPMLCD-UHFFFAOYSA-N
MW378.43 g/mol
LogP5.35
Rot. Bonds4

About N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide

N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide (PubChem CID 167583586) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
PubChem CID167583586
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC NameN-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
SMILESO=C(NC1=CCc2ccccc21)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C25H18N2O2/c28-25(27-23-13-12-17-6-1-2-9-20(17)23)18-7-5-8-19(16-18)29-24-14-15-26-22-11-4-3-10-21(22)24/h1-11,13-16H,12H2,(H,27,28)
InChIKeyYXYJBFXFLPMLCD-UHFFFAOYSA-N
XLogP5.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide 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-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
CID 167542689
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
N-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849
N-[2-(2-methoxyphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 155779033
N-[(4-cyanophenyl)methyl]-3-quinolin-4-yloxybenzamide
CID 166050621
N-(3-anilinophenyl)-3-(6-fluoroquinolin-4-yl)oxybenzamide
CID 170001772
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090
4-(3-methylphenoxy)quinoline
CID 12798303
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074

Frequently Asked Questions

What is the IUPAC name of N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide (CID 167583586) is N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide is O=C(NC1=CCc2ccccc21)c1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide?
The InChIKey is YXYJBFXFLPMLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c28-25(27-23-13-12-17-6-1-2-9-20(17)23)18-7-5-8-19(16-18)29-24-14-15-26-22-11-4-3-10-21(22)24/h1-11,13-16H,12H2,(H,27,28).
What are the key properties of N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide?
N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167583586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).