4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide

C21H22N2O2 — CID 135012730

IUPAC4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCCCCc1cc(C(=O)Nc2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-3-4-7-15-14-20(23-19-9-6-5-8-18(15)19)21(24)22-16-10-12-17(25-2)13-11-16/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,24)
InChIKeyVBWYYIJSWXBZIH-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.84
Rot. Bonds6

About 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide

4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide (PubChem CID 135012730) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide
PubChem CID135012730
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide
SMILESCCCCc1cc(C(=O)Nc2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C21H22N2O2/c1-3-4-7-15-14-20(23-19-9-6-5-8-18(15)19)21(24)22-16-10-12-17(25-2)13-11-16/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,24)
InChIKeyVBWYYIJSWXBZIH-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide?
The IUPAC name of 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide (CID 135012730) is 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide is CCCCc1cc(C(=O)Nc2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide?
The InChIKey is VBWYYIJSWXBZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-4-7-15-14-20(23-19-9-6-5-8-18(15)19)21(24)22-16-10-12-17(25-2)13-11-16/h5-6,8-14H,3-4,7H2,1-2H3,(H,22,24).
What are the key properties of 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide?
4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4-methoxyphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 135012730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).