N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide

C24H23N3O2 — CID 167542689

IUPACN-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
SMILESCC(C)(C)C1=NCC(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)=C1
InChIInChI=1S/C24H23N3O2/c1-24(2,3)22-14-17(15-26-22)27-23(28)16-7-6-8-18(13-16)29-21-11-12-25-20-10-5-4-9-19(20)21/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyBJXLVAUXZRFJDH-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.14
Rot. Bonds4

About N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide

N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide (PubChem CID 167542689) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
PubChem CID167542689
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide
SMILESCC(C)(C)C1=NCC(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)=C1
InChIInChI=1S/C24H23N3O2/c1-24(2,3)22-14-17(15-26-22)27-23(28)16-7-6-8-18(13-16)29-21-11-12-25-20-10-5-4-9-19(20)21/h4-14H,15H2,1-3H3,(H,27,28)
InChIKeyBJXLVAUXZRFJDH-UHFFFAOYSA-N
XLogP5.14
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-tert-butyl-2H-pyrrol-3-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-(1-tert-butylpyrazol-4-yl)-3-quinolin-4-yloxybenzamide
CID 155778849
N-(3H-inden-1-yl)-3-quinolin-4-yloxybenzamide
CID 167583586
N-[2-(2-methylphenyl)ethyl]-3-quinolin-4-yloxybenzamide
CID 167571163
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
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090
4-(3-methylphenoxy)quinoline
CID 12798303
4-cyano-N-(3-quinolin-4-yloxyphenyl)thiophene-3-carboxamide
CID 166187393
3-(7-chloroquinolin-4-yl)oxybenzoic acid
CID 61395609
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
4-methyl-N-(4-quinolin-4-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71982272

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide?
The IUPAC name of N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide (CID 167542689) is N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide.
What is the SMILES notation for N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide?
The canonical SMILES for N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide is CC(C)(C)C1=NCC(NC(=O)c2cccc(Oc3ccnc4ccccc34)c2)=C1.
What is the InChIKey of N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide?
The InChIKey is BJXLVAUXZRFJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-24(2,3)22-14-17(15-26-22)27-23(28)16-7-6-8-18(13-16)29-21-11-12-25-20-10-5-4-9-19(20)21/h4-14H,15H2,1-3H3,(H,27,28).
What are the key properties of N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide?
N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide has a molecular weight of 385.47 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2H-pyrrol-3-yl)-3-quinolin-4-yloxybenzamide is sourced from PubChem (CID 167542689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).