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

C31H34N4O2 — CID 162650740

IUPAC1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21
InChIInChI=1S/C31H34N4O2/c1-34-21-27(26-8-2-3-10-29(26)34)31(36)33-28-9-4-6-23-7-5-19-35(30(23)28)20-22-11-13-24(14-12-22)37-25-15-17-32-18-16-25/h2-4,6,8-14,21,25,32H,5,7,15-20H2,1H3,(H,33,36)
InChIKeyUZULDRJDFVJOTG-UHFFFAOYSA-N
MW494.64 g/mol
LogP5.51
Rot. Bonds6

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

1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide (PubChem CID 162650740) has the molecular formula C31H34N4O2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide
PubChem CID162650740
Molecular FormulaC31H34N4O2
Molecular Weight494.64 g/mol
Exact Mass494.27
IUPAC Name1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21
InChIInChI=1S/C31H34N4O2/c1-34-21-27(26-8-2-3-10-29(26)34)31(36)33-28-9-4-6-23-7-5-19-35(30(23)28)20-22-11-13-24(14-12-22)37-25-15-17-32-18-16-25/h2-4,6,8-14,21,25,32H,5,7,15-20H2,1H3,(H,33,36)
InChIKeyUZULDRJDFVJOTG-UHFFFAOYSA-N
XLogP5.51
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide (CID 162650740) is 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide is Cn1cc(C(=O)Nc2cccc3c2N(Cc2ccc(OC4CCNCC4)cc2)CCC3)c2ccccc21.
What is the InChIKey of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide?
The InChIKey is UZULDRJDFVJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-34-21-27(26-8-2-3-10-29(26)34)31(36)33-28-9-4-6-23-7-5-19-35(30(23)28)20-22-11-13-24(14-12-22)37-25-15-17-32-18-16-25/h2-4,6,8-14,21,25,32H,5,7,15-20H2,1H3,(H,33,36).
What are the key properties of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide?
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 5.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-3-carboxamide is sourced from PubChem (CID 162650740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).