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

C30H31N3O3 — CID 155681516

IUPACN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2o1
InChIInChI=1S/C30H31N3O3/c34-30(28-19-23-5-1-2-9-27(23)36-28)32-26-8-3-6-22-7-4-18-33(29(22)26)20-21-10-12-24(13-11-21)35-25-14-16-31-17-15-25/h1-3,5-6,8-13,19,25,31H,4,7,14-18,20H2,(H,32,34)
InChIKeyXZIAUQDQIWHGAM-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.77
Rot. Bonds6

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

N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide (PubChem CID 155681516) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide
PubChem CID155681516
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC NameN-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2o1
InChIInChI=1S/C30H31N3O3/c34-30(28-19-23-5-1-2-9-27(23)36-28)32-26-8-3-6-22-7-4-18-33(29(22)26)20-21-10-12-24(13-11-21)35-25-14-16-31-17-15-25/h1-3,5-6,8-13,19,25,31H,4,7,14-18,20H2,(H,32,34)
InChIKeyXZIAUQDQIWHGAM-UHFFFAOYSA-N
XLogP5.77
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-4-carboxamide
CID 162654894
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
N-[2-(cyclopentylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 17442222
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
N-(5-chloro-2-piperidin-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 7922537
2-[[2-[4-(4-piperidin-4-yloxyphenoxy)phenyl]acetyl]amino]benzoic acid
CID 22484932
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
1-(1-benzofuran-2-yl)-2-cyclobutyloxyethanone
CID 62141411

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide (CID 155681516) is N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide is O=C(Nc1cccc2c1N(Cc1ccc(OC3CCNCC3)cc1)CCC2)c1cc2ccccc2o1.
What is the InChIKey of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide?
The InChIKey is XZIAUQDQIWHGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c34-30(28-19-23-5-1-2-9-27(23)36-28)32-26-8-3-6-22-7-4-18-33(29(22)26)20-21-10-12-24(13-11-21)35-25-14-16-31-17-15-25/h1-3,5-6,8-13,19,25,31H,4,7,14-18,20H2,(H,32,34).
What are the key properties of N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide?
N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]-1-benzofuran-2-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.77, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155681516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).