N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide

C20H17Cl2N3O — CID 66619080

IUPACN-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(Nc2cccc(Cl)c2Cl)nc2ccccc12)C1CCC1
InChIInChI=1S/C20H17Cl2N3O/c21-14-8-4-10-16(19(14)22)24-18-11-17(25-20(26)12-5-3-6-12)13-7-1-2-9-15(13)23-18/h1-2,4,7-12H,3,5-6H2,(H2,23,24,25,26)
InChIKeyZZJZHWXUSQBTGY-UHFFFAOYSA-N
MW386.28 g/mol
LogP6.02
Rot. Bonds4

About N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide

N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide (PubChem CID 66619080) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
PubChem CID66619080
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
SMILESO=C(Nc1cc(Nc2cccc(Cl)c2Cl)nc2ccccc12)C1CCC1
InChIInChI=1S/C20H17Cl2N3O/c21-14-8-4-10-16(19(14)22)24-18-11-17(25-20(26)12-5-3-6-12)13-7-1-2-9-15(13)23-18/h1-2,4,7-12H,3,5-6H2,(H2,23,24,25,26)
InChIKeyZZJZHWXUSQBTGY-UHFFFAOYSA-N
XLogP6.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide 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-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
CID 143943855
N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
CID 66619206
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
N-[4-(2,3-dichloroanilino)phenyl]cyclopropanecarboxamide
CID 112989688
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
2-[(2,3-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977750
N-(2,3-dichlorophenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752495
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(3-chloro-2-methylphenyl)-4-methylquinolin-2-amine
CID 5204152
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide (CID 66619080) is N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide is O=C(Nc1cc(Nc2cccc(Cl)c2Cl)nc2ccccc12)C1CCC1.
What is the InChIKey of N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide?
The InChIKey is ZZJZHWXUSQBTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-14-8-4-10-16(19(14)22)24-18-11-17(25-20(26)12-5-3-6-12)13-7-1-2-9-15(13)23-18/h1-2,4,7-12H,3,5-6H2,(H2,23,24,25,26).
What are the key properties of N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide?
N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide has a molecular weight of 386.28 g/mol, XLogP of 6.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 66619080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).