2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide

C30H38N4O — CID 46334639

IUPAC2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCC(N3CCCCC3)CC2)c2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C30H38N4O/c1-23-22-28(27-13-8-12-26(29(27)32-23)24-10-4-2-5-11-24)30(35)31-16-9-17-33-20-14-25(15-21-33)34-18-6-3-7-19-34/h2,4-5,8,10-13,22,25H,3,6-7,9,14-21H2,1H3,(H,31,35)
InChIKeyUXYHFZPLWAZIGC-UHFFFAOYSA-N
MW470.66 g/mol
LogP5.28
Rot. Bonds7

About 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide

2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 46334639) has the molecular formula C30H38N4O and a molecular weight of 470.66 g/mol. Its IUPAC name is 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide
PubChem CID46334639
Molecular FormulaC30H38N4O
Molecular Weight470.66 g/mol
Exact Mass470.30
IUPAC Name2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCN2CCC(N3CCCCC3)CC2)c2cccc(-c3ccccc3)c2n1
InChIInChI=1S/C30H38N4O/c1-23-22-28(27-13-8-12-26(29(27)32-23)24-10-4-2-5-11-24)30(35)31-16-9-17-33-20-14-25(15-21-33)34-18-6-3-7-19-34/h2,4-5,8,10-13,22,25H,3,6-7,9,14-21H2,1H3,(H,31,35)
InChIKeyUXYHFZPLWAZIGC-UHFFFAOYSA-N
XLogP5.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
CID 46334607
8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334671
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
2-phenyl-3-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxylic acid
CID 11317055
4-[4-(hydroxymethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462328
(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
CID 50788828
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
4-(3-methoxyphenoxy)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 118462134
3-(benzenesulfonylmethyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 22579368

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide (CID 46334639) is 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCCN2CCC(N3CCCCC3)CC2)c2cccc(-c3ccccc3)c2n1.
What is the InChIKey of 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is UXYHFZPLWAZIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O/c1-23-22-28(27-13-8-12-26(29(27)32-23)24-10-4-2-5-11-24)30(35)31-16-9-17-33-20-14-25(15-21-33)34-18-6-3-7-19-34/h2,4-5,8,10-13,22,25H,3,6-7,9,14-21H2,1H3,(H,31,35).
What are the key properties of 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide?
2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 470.66 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-phenyl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 46334639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).