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

C30H32N4O2 — CID 155681500

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cccc2[nH]ccc12
InChIInChI=1S/C30H32N4O2/c35-30(26-6-2-7-27-25(26)15-18-32-27)33-28-8-1-4-22-5-3-19-34(29(22)28)20-21-9-11-23(12-10-21)36-24-13-16-31-17-14-24/h1-2,4,6-12,15,18,24,31-32H,3,5,13-14,16-17,19-20H2,(H,33,35)
InChIKeyLJGKNESWJPNFAZ-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.50
Rot. Bonds6

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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide (PubChem CID 155681500) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide
PubChem CID155681500
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cccc2[nH]ccc12
InChIInChI=1S/C30H32N4O2/c35-30(26-6-2-7-27-25(26)15-18-32-27)33-28-8-1-4-22-5-3-19-34(29(22)28)20-21-9-11-23(12-10-21)36-24-13-16-31-17-14-24/h1-2,4,6-12,15,18,24,31-32H,3,5,13-14,16-17,19-20H2,(H,33,35)
InChIKeyLJGKNESWJPNFAZ-UHFFFAOYSA-N
XLogP5.50
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-1H-indole-4-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide (CID 155681500) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cccc2[nH]ccc12.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide?
The InChIKey is LJGKNESWJPNFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c35-30(26-6-2-7-27-25(26)15-18-32-27)33-28-8-1-4-22-5-3-19-34(29(22)28)20-21-9-11-23(12-10-21)36-24-13-16-31-17-14-24/h1-2,4,6-12,15,18,24,31-32H,3,5,13-14,16-17,19-20H2,(H,33,35).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1H-indole-4-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 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]-1H-indole-4-carboxamide is sourced from PubChem (CID 155681500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).