N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide

C43H42Cl2N6O3 — CID 66619206

IUPACN-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCC1
InChIInChI=1S/C22H23N3O2.C21H19Cl2N3O/c1-27-17-12-10-16(11-13-17)23-21-14-20(18-8-4-5-9-19(18)24-21)25-22(26)15-6-2-3-7-15;22-16-10-9-14(11-17(16)23)24-20-12-19(15-7-3-4-8-18(15)25-20)26-21(27)13-5-1-2-6-13/h4-5,8-15H,2-3,6-7H2,1H3,(H2,23,24,25,26);3-4,7-13H,1-2,5-6H2,(H2,24,25,26,27)
InChIKeyRHPIYQLRFODURG-UHFFFAOYSA-N
MW761.75 g/mol
LogP11.53
Rot. Bonds9

About N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide

N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide (PubChem CID 66619206) has the molecular formula C43H42Cl2N6O3 and a molecular weight of 761.75 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
PubChem CID66619206
Molecular FormulaC43H42Cl2N6O3
Molecular Weight761.75 g/mol
Exact Mass760.27
IUPAC NameN-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCC1
InChIInChI=1S/C22H23N3O2.C21H19Cl2N3O/c1-27-17-12-10-16(11-13-17)23-21-14-20(18-8-4-5-9-19(18)24-21)25-22(26)15-6-2-3-7-15;22-16-10-9-14(11-17(16)23)24-20-12-19(15-7-3-4-8-18(15)25-20)26-21(27)13-5-1-2-6-13/h4-5,8-15H,2-3,6-7H2,1H3,(H2,23,24,25,26);3-4,7-13H,1-2,5-6H2,(H2,24,25,26,27)
InChIKeyRHPIYQLRFODURG-UHFFFAOYSA-N
XLogP11.53
TPSA117.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.75
LogP ≤ 511.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
CID 143943855
N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
CID 66619080
N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
CID 25223765
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-(2-anilinoquinolin-4-yl)cyclohexanecarboxamide;N-[2-[cyclohexa-1,3-dien-1-yl(1H-inden-5-yl)amino]quinolin-4-yl]cyclohexanecarboxamide;cyclopentanecarboxamide;N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclohexanecarboxamide
CID 173100021
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113050746
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
(3S)-N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126380777
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
CID 17403113

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide (CID 66619206) is N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide is COc1ccc(Nc2cc(NC(=O)C3CCCC3)c3ccccc3n2)cc1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCC1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide?
The InChIKey is RHPIYQLRFODURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C21H19Cl2N3O/c1-27-17-12-10-16(11-13-17)23-21-14-20(18-8-4-5-9-19(18)24-21)25-22(26)15-6-2-3-7-15;22-16-10-9-14(11-17(16)23)24-20-12-19(15-7-3-4-8-18(15)25-20)26-21(27)13-5-1-2-6-13/h4-5,8-15H,2-3,6-7H2,1H3,(H2,23,24,25,26);3-4,7-13H,1-2,5-6H2,(H2,24,25,26,27).
What are the key properties of N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide?
N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide has a molecular weight of 761.75 g/mol, XLogP of 11.53, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 66619206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).