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

C31H32N4O2 — CID 155681497

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2ccccc2n1
InChIInChI=1S/C31H32N4O2/c36-31(29-15-12-23-5-1-2-8-27(23)33-29)34-28-9-3-6-24-7-4-20-35(30(24)28)21-22-10-13-25(14-11-22)37-26-16-18-32-19-17-26/h1-3,5-6,8-15,26,32H,4,7,16-21H2,(H,34,36)
InChIKeyJIRIWSLNIKWWJQ-UHFFFAOYSA-N
MW492.62 g/mol
LogP5.57
Rot. Bonds6

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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide (PubChem CID 155681497) has the molecular formula C31H32N4O2 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide
PubChem CID155681497
Molecular FormulaC31H32N4O2
Molecular Weight492.62 g/mol
Exact Mass492.25
IUPAC NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2ccccc2n1
InChIInChI=1S/C31H32N4O2/c36-31(29-15-12-23-5-1-2-8-27(23)33-29)34-28-9-3-6-24-7-4-20-35(30(24)28)21-22-10-13-25(14-11-22)37-26-16-18-32-19-17-26/h1-3,5-6,8-15,26,32H,4,7,16-21H2,(H,34,36)
InChIKeyJIRIWSLNIKWWJQ-UHFFFAOYSA-N
XLogP5.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 55.57
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]quinoline-2-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide (CID 155681497) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1ccc2ccccc2n1.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide?
The InChIKey is JIRIWSLNIKWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c36-31(29-15-12-23-5-1-2-8-27(23)33-29)34-28-9-3-6-24-7-4-20-35(30(24)28)21-22-10-13-25(14-11-22)37-26-16-18-32-19-17-26/h1-3,5-6,8-15,26,32H,4,7,16-21H2,(H,34,36).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-2-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 5.57, 6 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]quinoline-2-carboxamide is sourced from PubChem (CID 155681497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).