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

C31H34N4O2 — CID 162654894

IUPAC1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)cccc21
InChIInChI=1S/C31H34N4O2/c1-34-20-16-26-27(7-3-9-29(26)34)31(36)33-28-8-2-5-23-6-4-19-35(30(23)28)21-22-10-12-24(13-11-22)37-25-14-17-32-18-15-25/h2-3,5,7-13,16,20,25,32H,4,6,14-15,17-19,21H2,1H3,(H,33,36)
InChIKeyGYDRVKMTXGOFER-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-4-carboxamide

1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide (PubChem CID 162654894) 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-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide
PubChem CID162654894
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-4-carboxamide
SMILESCn1ccc2c(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)cccc21
InChIInChI=1S/C31H34N4O2/c1-34-20-16-26-27(7-3-9-29(26)34)31(36)33-28-8-2-5-23-6-4-19-35(30(23)28)21-22-10-12-24(13-11-22)37-25-14-17-32-18-15-25/h2-3,5,7-13,16,20,25,32H,4,6,14-15,17-19,21H2,1H3,(H,33,36)
InChIKeyGYDRVKMTXGOFER-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-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide (CID 162654894) is 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide is Cn1ccc2c(C(=O)Nc3cccc4c3N(Cc3ccc(OC5CCNCC5)cc3)CCC4)cccc21.
What is the InChIKey of 1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide?
The InChIKey is GYDRVKMTXGOFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O2/c1-34-20-16-26-27(7-3-9-29(26)34)31(36)33-28-8-2-5-23-6-4-19-35(30(23)28)21-22-10-12-24(13-11-22)37-25-14-17-32-18-15-25/h2-3,5,7-13,16,20,25,32H,4,6,14-15,17-19,21H2,1H3,(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-4-carboxamide?
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-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-4-carboxamide is sourced from PubChem (CID 162654894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).