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

C33H38N4O2 — CID 162658389

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C33H38N4O2/c1-23(2)37-30-11-4-3-7-26(30)21-31(37)33(38)35-29-10-5-8-25-9-6-20-36(32(25)29)22-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,21,23,28,34H,6,9,16-20,22H2,1-2H3,(H,35,38)
InChIKeyJXHBOTLFZOIJRZ-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.56
Rot. Bonds7

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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide (PubChem CID 162658389) has the molecular formula C33H38N4O2 and a molecular weight of 522.69 g/mol. Its IUPAC name is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide
PubChem CID162658389
Molecular FormulaC33H38N4O2
Molecular Weight522.69 g/mol
Exact Mass522.30
IUPAC NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide
SMILESCC(C)n1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C33H38N4O2/c1-23(2)37-30-11-4-3-7-26(30)21-31(37)33(38)35-29-10-5-8-25-9-6-20-36(32(25)29)22-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,21,23,28,34H,6,9,16-20,22H2,1-2H3,(H,35,38)
InChIKeyJXHBOTLFZOIJRZ-UHFFFAOYSA-N
XLogP6.56
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
Cdn1163
CID 16016585
4-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850566
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
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-{[4-(propan-2-yloxy)phenyl]methyl}butanamide
CID 16018214
N-[(2S)-1-[[(2S,3R)-4-[[(8S,11S)-8-[(2R)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 56678364
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
1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162659111

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide (CID 162658389) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide is CC(C)n1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide?
The InChIKey is JXHBOTLFZOIJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-23(2)37-30-11-4-3-7-26(30)21-31(37)33(38)35-29-10-5-8-25-9-6-20-36(32(25)29)22-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,21,23,28,34H,6,9,16-20,22H2,1-2H3,(H,35,38).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 6.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propan-2-ylindole-2-carboxamide is sourced from PubChem (CID 162658389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).