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

C32H36N4O2 — CID 162643666

IUPAC1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C32H36N4O2/c1-2-36-29-11-4-3-7-25(29)21-30(36)32(37)34-28-10-5-8-24-9-6-20-35(31(24)28)22-23-12-14-26(15-13-23)38-27-16-18-33-19-17-27/h3-5,7-8,10-15,21,27,33H,2,6,9,16-20,22H2,1H3,(H,34,37)
InChIKeyNIBDAXYLAPBJSQ-UHFFFAOYSA-N
MW508.67 g/mol
LogP6.00
Rot. Bonds7

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

1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (PubChem CID 162643666) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
PubChem CID162643666
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC Name1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C32H36N4O2/c1-2-36-29-11-4-3-7-25(29)21-30(36)32(37)34-28-10-5-8-24-9-6-20-35(31(24)28)22-23-12-14-26(15-13-23)38-27-16-18-33-19-17-27/h3-5,7-8,10-15,21,27,33H,2,6,9,16-20,22H2,1H3,(H,34,37)
InChIKeyNIBDAXYLAPBJSQ-UHFFFAOYSA-N
XLogP6.00
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide (CID 162643666) is 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is CCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
The InChIKey is NIBDAXYLAPBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-2-36-29-11-4-3-7-25(29)21-30(36)32(37)34-28-10-5-8-24-9-6-20-35(31(24)28)22-23-12-14-26(15-13-23)38-27-16-18-33-19-17-27/h3-5,7-8,10-15,21,27,33H,2,6,9,16-20,22H2,1H3,(H,34,37).
What are the key properties of 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide?
1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide is sourced from PubChem (CID 162643666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).