1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide

C32H35FN4O2 — CID 162659111

IUPAC1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCF
InChIInChI=1S/C32H35FN4O2/c33-16-20-37-29-9-2-1-5-25(29)21-30(37)32(38)35-28-8-3-6-24-7-4-19-36(31(24)28)22-23-10-12-26(13-11-23)39-27-14-17-34-18-15-27/h1-3,5-6,8-13,21,27,34H,4,7,14-20,22H2,(H,35,38)
InChIKeyOHJMEGZARFVCFY-UHFFFAOYSA-N
MW526.66 g/mol
LogP5.95
Rot. Bonds8

About 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide

1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (PubChem CID 162659111) has the molecular formula C32H35FN4O2 and a molecular weight of 526.66 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
PubChem CID162659111
Molecular FormulaC32H35FN4O2
Molecular Weight526.66 g/mol
Exact Mass526.27
IUPAC Name1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCF
InChIInChI=1S/C32H35FN4O2/c33-16-20-37-29-9-2-1-5-25(29)21-30(37)32(38)35-28-8-3-6-24-7-4-19-36(31(24)28)22-23-10-12-26(13-11-23)39-27-14-17-34-18-15-27/h1-3,5-6,8-13,21,27,34H,4,7,14-20,22H2,(H,35,38)
InChIKeyOHJMEGZARFVCFY-UHFFFAOYSA-N
XLogP5.95
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide
CID 155681500
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 155681508
4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
CID 16018214
1-(2-chloroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162643433
1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162643666
5-fluoro-1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162645642
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide
CID 162658389
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indazole-3-carboxamide
CID 162660232
1-(2,2-difluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162661678
1-(difluoromethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162668715
2-(2-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678514
2-(3-fluorobenzyl)-8-(1-isopropylpiperidin-4-yloxy)-3,4-dihydropyrazino[1,2-a]indol-1(2H)-one
CID 16678615

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The IUPAC name of 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (CID 162659111) is 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The canonical SMILES for 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2n1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The InChIKey is OHJMEGZARFVCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN4O2/c33-16-20-37-29-9-2-1-5-25(29)21-30(37)32(38)35-28-8-3-6-24-7-4-19-36(31(24)28)22-23-10-12-26(13-11-23)39-27-14-17-34-18-15-27/h1-3,5-6,8-13,21,27,34H,4,7,14-20,22H2,(H,35,38).
What are the key properties of 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide has a molecular weight of 526.66 g/mol, XLogP of 5.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is sourced from PubChem (CID 162659111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).