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

C33H38N4O2 — CID 162651524

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C33H38N4O2/c1-2-20-37-30-11-4-3-7-26(30)22-31(37)33(38)35-29-10-5-8-25-9-6-21-36(32(25)29)23-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,22,28,34H,2,6,9,16-21,23H2,1H3,(H,35,38)
InChIKeySOBCWVSINXZNLJ-UHFFFAOYSA-N
MW522.69 g/mol
LogP6.39
Rot. Bonds8

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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide (PubChem CID 162651524) 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-propylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide
PubChem CID162651524
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-propylindole-2-carboxamide
SMILESCCCn1c(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)cc2ccccc21
InChIInChI=1S/C33H38N4O2/c1-2-20-37-30-11-4-3-7-26(30)22-31(37)33(38)35-29-10-5-8-25-9-6-21-36(32(25)29)23-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,22,28,34H,2,6,9,16-21,23H2,1H3,(H,35,38)
InChIKeySOBCWVSINXZNLJ-UHFFFAOYSA-N
XLogP6.39
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide (CID 162651524) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide is CCCn1c(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-propylindole-2-carboxamide?
The InChIKey is SOBCWVSINXZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O2/c1-2-20-37-30-11-4-3-7-26(30)22-31(37)33(38)35-29-10-5-8-25-9-6-21-36(32(25)29)23-24-12-14-27(15-13-24)39-28-16-18-34-19-17-28/h3-5,7-8,10-15,22,28,34H,2,6,9,16-21,23H2,1H3,(H,35,38).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-propylindole-2-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 6.39, 8 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-propylindole-2-carboxamide is sourced from PubChem (CID 162651524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).