N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide

C20H18Cl2N2O — CID 5043299

IUPACN-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H18Cl2N2O/c1-20(2,3)24-19(25)14-11-18(12-8-9-15(21)16(22)10-12)23-17-7-5-4-6-13(14)17/h4-11H,1-3H3,(H,24,25)
InChIKeyYHRUGWLGRZUBNS-UHFFFAOYSA-N
MW373.28 g/mol
LogP5.74
Rot. Bonds2

About N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide

N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide (PubChem CID 5043299) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
PubChem CID5043299
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC NameN-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C20H18Cl2N2O/c1-20(2,3)24-19(25)14-11-18(12-8-9-15(21)16(22)10-12)23-17-7-5-4-6-13(14)17/h4-11H,1-3H3,(H,24,25)
InChIKeyYHRUGWLGRZUBNS-UHFFFAOYSA-N
XLogP5.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-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

2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
2-(3,4-dichlorophenyl)-N-prop-2-enylquinoline-4-carboxamide
CID 5209906
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide (CID 5043299) is N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
The InChIKey is YHRUGWLGRZUBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c1-20(2,3)24-19(25)14-11-18(12-8-9-15(21)16(22)10-12)23-17-7-5-4-6-13(14)17/h4-11H,1-3H3,(H,24,25).
What are the key properties of N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide?
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 5043299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).