2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

C29H30N2O3 — CID 3274863

IUPAC2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1ccc(-c2cc(C(=O)NC(C)c3ccc(OC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C29H30N2O3/c1-4-5-18-34-24-16-12-22(13-17-24)28-19-26(25-8-6-7-9-27(25)31-28)29(32)30-20(2)21-10-14-23(33-3)15-11-21/h6-17,19-20H,4-5,18H2,1-3H3,(H,30,32)
InChIKeyFARQAIPCSZQAGU-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.58
Rot. Bonds9

About 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide

2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 3274863) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID3274863
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCCCCOc1ccc(-c2cc(C(=O)NC(C)c3ccc(OC)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C29H30N2O3/c1-4-5-18-34-24-16-12-22(13-17-24)28-19-26(25-8-6-7-9-27(25)31-28)29(32)30-20(2)21-10-14-23(33-3)15-11-21/h6-17,19-20H,4-5,18H2,1-3H3,(H,30,32)
InChIKeyFARQAIPCSZQAGU-UHFFFAOYSA-N
XLogP6.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.58
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

2-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]quinoline-4-carboxamide
CID 40875191
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-(1-hydroxypropan-2-yl)-2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxamide
CID 112818191
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide (CID 3274863) is 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is CCCCOc1ccc(-c2cc(C(=O)NC(C)c3ccc(OC)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is FARQAIPCSZQAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-4-5-18-34-24-16-12-22(13-17-24)28-19-26(25-8-6-7-9-27(25)31-28)29(32)30-20(2)21-10-14-23(33-3)15-11-21/h6-17,19-20H,4-5,18H2,1-3H3,(H,30,32).
What are the key properties of 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide?
2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 6.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 3274863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).