4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline

C26H28ClFN2 — CID 155416442

IUPAC4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
SMILESC=C(Nc1ccc(Cl)cc1)C(CC)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H28ClFN2/c1-3-23(17(2)30-22-11-8-20(27)9-12-22)18-4-6-19(7-5-18)24-14-15-29-26-13-10-21(28)16-25(24)26/h8-16,18-19,23,30H,2-7H2,1H3
InChIKeyQDHKBQCDKBWELO-UHFFFAOYSA-N
MW422.98 g/mol
LogP7.95
Rot. Bonds6

About 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline

4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline (PubChem CID 155416442) has the molecular formula C26H28ClFN2 and a molecular weight of 422.98 g/mol. Its IUPAC name is 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline.

Molecular Properties

Compound Name4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
PubChem CID155416442
Molecular FormulaC26H28ClFN2
Molecular Weight422.98 g/mol
Exact Mass422.19
IUPAC Name4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline
SMILESC=C(Nc1ccc(Cl)cc1)C(CC)C1CCC(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H28ClFN2/c1-3-23(17(2)30-22-11-8-20(27)9-12-22)18-4-6-19(7-5-18)24-14-15-29-26-13-10-21(28)16-25(24)26/h8-16,18-19,23,30H,2-7H2,1H3
InChIKeyQDHKBQCDKBWELO-UHFFFAOYSA-N
XLogP7.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.98
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline 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-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
4-chloro-N-[3-[2-(6-fluoroquinolin-4-yl)-2-azaspiro[3.5]nonan-7-yl]pent-1-en-2-yl]aniline
CID 160704771
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;ethane-1,2-disulfonic acid
CID 175788062
(2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175788054
N-(4-chlorophenyl)-2-[1-fluoro-4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 121328328
2-[(3aS)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)propanamide
CID 147503377
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]acetamide
CID 138549886
(2R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]butan-2-amine
CID 168891034
N-(4-chlorophenyl)-6-(6-fluoroquinolin-4-yl)-1-azaspiro[2.5]octane-1-carboxamide
CID 142613284
2-[(3aR)-5-(6-fluoroquinolin-4-yl)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155016347
4-chloro-N-[4-(6-fluoroquinolin-4-yl)cyclohexyl]benzamide
CID 121329957
N-[1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]cyclopropanecarboxamide
CID 142556941

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline?
The IUPAC name of 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline (CID 155416442) is 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline.
What is the SMILES notation for 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline?
The canonical SMILES for 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline is C=C(Nc1ccc(Cl)cc1)C(CC)C1CCC(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline?
The InChIKey is QDHKBQCDKBWELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN2/c1-3-23(17(2)30-22-11-8-20(27)9-12-22)18-4-6-19(7-5-18)24-14-15-29-26-13-10-21(28)16-25(24)26/h8-16,18-19,23,30H,2-7H2,1H3.
What are the key properties of 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline?
4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline has a molecular weight of 422.98 g/mol, XLogP of 7.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pent-1-en-2-yl]aniline is sourced from PubChem (CID 155416442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).