2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide

C27H34N4O3 — CID 46090934

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
SMILESCCCOCCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H34N4O3/c1-3-18-34-19-6-13-28-27(32)24-20-26(29-25-8-5-4-7-23(24)25)31-16-14-30(15-17-31)21-9-11-22(33-2)12-10-21/h4-5,7-12,20H,3,6,13-19H2,1-2H3,(H,28,32)
InChIKeyRKKDPXQFJGVOPN-UHFFFAOYSA-N
MW462.59 g/mol
LogP4.12
Rot. Bonds10

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide (PubChem CID 46090934) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
PubChem CID46090934
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide
SMILESCCCOCCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C27H34N4O3/c1-3-18-34-19-6-13-28-27(32)24-20-26(29-25-8-5-4-7-23(24)25)31-16-14-30(15-17-31)21-9-11-22(33-2)12-10-21/h4-5,7-12,20H,3,6,13-19H2,1-2H3,(H,28,32)
InChIKeyRKKDPXQFJGVOPN-UHFFFAOYSA-N
XLogP4.12
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 46091077
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
CID 117089242
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxamide
CID 98401545
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 46091052
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
2-(4-benzylpiperazin-1-yl)-N-[3-(diethylamino)propyl]quinoline-4-carboxamide
CID 46091039
N-(3-methylsulfanylpropyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090884
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(3-butoxypropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 27682804
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide (CID 46090934) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide is CCCOCCCNC(=O)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide?
The InChIKey is RKKDPXQFJGVOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-18-34-19-6-13-28-27(32)24-20-26(29-25-8-5-4-7-23(24)25)31-16-14-30(15-17-31)21-9-11-22(33-2)12-10-21/h4-5,7-12,20H,3,6,13-19H2,1-2H3,(H,28,32).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 4.12, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-propoxypropyl)quinoline-4-carboxamide is sourced from PubChem (CID 46090934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).