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

C81H86Cl2N10O4 — CID 173100021

IUPACN-(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
SMILESNC(=O)C1CCCC1.O=C(Nc1cc(N(C2=CC=CCC2)c2ccc3c(c2)C=CC3)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C31H31N3O.C22H21Cl2N3O.C22H23N3O.C6H11NO/c35-31(23-10-3-1-4-11-23)33-29-21-30(32-28-17-8-7-16-27(28)29)34(25-14-5-2-6-15-25)26-19-18-22-12-9-13-24(22)20-26;23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14;26-22(16-9-3-1-4-10-16)25-20-15-21(23-17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)20;7-6(8)5-3-1-2-4-5/h2,5,7-9,13-14,16-21,23H,1,3-4,6,10-12,15H2,(H,32,33,35);4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28);2,5-8,11-16H,1,3-4,9-10H2,(H2,23,24,25,26);5H,1-4H2,(H2,7,8)
InChIKeyUQVHPAUVTPRVSA-UHFFFAOYSA-N
MW1334.55 g/mol
LogP20.66
Rot. Bonds14

About 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

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 (PubChem CID 173100021) has the molecular formula C81H86Cl2N10O4 and a molecular weight of 1334.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID173100021
Molecular FormulaC81H86Cl2N10O4
Molecular Weight1334.55 g/mol
Exact Mass1332.62
IUPAC NameN-(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
SMILESNC(=O)C1CCCC1.O=C(Nc1cc(N(C2=CC=CCC2)c2ccc3c(c2)C=CC3)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCCC1
InChIInChI=1S/C31H31N3O.C22H21Cl2N3O.C22H23N3O.C6H11NO/c35-31(23-10-3-1-4-11-23)33-29-21-30(32-28-17-8-7-16-27(28)29)34(25-14-5-2-6-15-25)26-19-18-22-12-9-13-24(22)20-26;23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14;26-22(16-9-3-1-4-10-16)25-20-15-21(23-17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)20;7-6(8)5-3-1-2-4-5/h2,5,7-9,13-14,16-21,23H,1,3-4,6,10-12,15H2,(H,32,33,35);4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28);2,5-8,11-16H,1,3-4,9-10H2,(H2,23,24,25,26);5H,1-4H2,(H2,7,8)
InChIKeyUQVHPAUVTPRVSA-UHFFFAOYSA-N
XLogP20.66
TPSA196.36 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001334.55
LogP ≤ 520.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)C1CCCC1.O=C(Nc1cc(N(C2=CC=CCC2)c2ccc3c(c2)C=CC3)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)C1CCCCC1.O=C(Nc1cc(Nc2ccccc2)nc2ccccc12)C1CCCCC1.
What is the InChIKey of 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?
The InChIKey is UQVHPAUVTPRVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O.C22H21Cl2N3O.C22H23N3O.C6H11NO/c35-31(23-10-3-1-4-11-23)33-29-21-30(32-28-17-8-7-16-27(28)29)34(25-14-5-2-6-15-25)26-19-18-22-12-9-13-24(22)20-26;23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14;26-22(16-9-3-1-4-10-16)25-20-15-21(23-17-11-5-2-6-12-17)24-19-14-8-7-13-18(19)20;7-6(8)5-3-1-2-4-5/h2,5,7-9,13-14,16-21,23H,1,3-4,6,10-12,15H2,(H,32,33,35);4-5,8-14H,1-3,6-7H2,(H2,25,26,27,28);2,5-8,11-16H,1,3-4,9-10H2,(H2,23,24,25,26);5H,1-4H2,(H2,7,8).
What are the key properties of 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?
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 has a molecular weight of 1334.55 g/mol, XLogP of 20.66, 14 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173100021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).