7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide

C26H26ClFN4O — CID 22909401

IUPAC7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C26H26ClFN4O/c1-16-12-22(20-4-2-18(27)13-25(20)31-16)26(33)29-8-11-32-9-6-17(7-10-32)23-15-30-24-14-19(28)3-5-21(23)24/h2-5,12-15,17,30H,6-11H2,1H3,(H,29,33)
InChIKeyISFNOXHEUHXNMV-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.43
Rot. Bonds5

About 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide

7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide (PubChem CID 22909401) has the molecular formula C26H26ClFN4O and a molecular weight of 464.97 g/mol. Its IUPAC name is 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide
PubChem CID22909401
Molecular FormulaC26H26ClFN4O
Molecular Weight464.97 g/mol
Exact Mass464.18
IUPAC Name7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1
InChIInChI=1S/C26H26ClFN4O/c1-16-12-22(20-4-2-18(27)13-25(20)31-16)26(33)29-8-11-32-9-6-17(7-10-32)23-15-30-24-14-19(28)3-5-21(23)24/h2-5,12-15,17,30H,6-11H2,1H3,(H,29,33)
InChIKeyISFNOXHEUHXNMV-UHFFFAOYSA-N
XLogP5.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-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

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-3-(1H-indol-3-yl)propionamide
CID 11156598
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-hexyl]-3-(1H-indol-3-yl)propionamide
CID 11249115
N-[8-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-octyl]-3-(1H-indol-3-yl)propionamide
CID 11249560
N-[7-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-heptyl]-2-(1H-indol-3-yl)acetamide
CID 11283475
N-[6-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-hexyl]4-(1H-Indol-3-yl)-butyramide
CID 11341331
N-[5-(6-Chloro-1,2,3,4-tetrahydroacridin-9-ylamino)-pentyl]-4-(1H-indol-3-yl)butyramide
CID 11432076
7-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]heptanamide
CID 11706508
Gsk983
CID 11416123
6-[(6,8-dichloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 11555885
6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]-N-[2-(1H-indol-3-yl)ethyl]hexanamide
CID 11562215

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide (CID 22909401) is 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCCN2CCC(c3c[nH]c4cc(F)ccc34)CC2)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide?
The InChIKey is ISFNOXHEUHXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN4O/c1-16-12-22(20-4-2-18(27)13-25(20)31-16)26(33)29-8-11-32-9-6-17(7-10-32)23-15-30-24-14-19(28)3-5-21(23)24/h2-5,12-15,17,30H,6-11H2,1H3,(H,29,33).
What are the key properties of 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide?
7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide has a molecular weight of 464.97 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 22909401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).