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

C31H32N4O2 — CID 155681503

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cnc2ccccc2c1
InChIInChI=1S/C31H32N4O2/c36-31(25-19-24-5-1-2-8-28(24)33-20-25)34-29-9-3-6-23-7-4-18-35(30(23)29)21-22-10-12-26(13-11-22)37-27-14-16-32-17-15-27/h1-3,5-6,8-13,19-20,27,32H,4,7,14-18,21H2,(H,34,36)
InChIKeyQWRXVURMEGJZAY-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-3-carboxamide

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide (PubChem CID 155681503) 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-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide
PubChem CID155681503
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-3-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cnc2ccccc2c1
InChIInChI=1S/C31H32N4O2/c36-31(25-19-24-5-1-2-8-28(24)33-20-25)34-29-9-3-6-23-7-4-18-35(30(23)29)21-22-10-12-26(13-11-22)37-27-14-16-32-17-15-27/h1-3,5-6,8-13,19-20,27,32H,4,7,14-18,21H2,(H,34,36)
InChIKeyQWRXVURMEGJZAY-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-3-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide (CID 155681503) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cnc2ccccc2c1.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide?
The InChIKey is QWRXVURMEGJZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O2/c36-31(25-19-24-5-1-2-8-28(24)33-20-25)34-29-9-3-6-23-7-4-18-35(30(23)29)21-22-10-12-26(13-11-22)37-27-14-16-32-17-15-27/h1-3,5-6,8-13,19-20,27,32H,4,7,14-18,21H2,(H,34,36).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]quinoline-3-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-3-carboxamide is sourced from PubChem (CID 155681503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).