5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide

C21H22N2O2 — CID 135867468

IUPAC5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide
SMILESCc1ccc2c(O)c(C(=O)NCCCCc3ccccc3)ccc2n1
InChIInChI=1S/C21H22N2O2/c1-15-10-11-17-19(23-15)13-12-18(20(17)24)21(25)22-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13,24H,5-6,9,14H2,1H3,(H,22,25)
InChIKeyZRRCOOMRKSXMFM-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.00
Rot. Bonds6

About 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide

5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide (PubChem CID 135867468) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide
PubChem CID135867468
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide
SMILESCc1ccc2c(O)c(C(=O)NCCCCc3ccccc3)ccc2n1
InChIInChI=1S/C21H22N2O2/c1-15-10-11-17-19(23-15)13-12-18(20(17)24)21(25)22-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13,24H,5-6,9,14H2,1H3,(H,22,25)
InChIKeyZRRCOOMRKSXMFM-UHFFFAOYSA-N
XLogP4.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide (CID 135867468) is 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide is Cc1ccc2c(O)c(C(=O)NCCCCc3ccccc3)ccc2n1.
What is the InChIKey of 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide?
The InChIKey is ZRRCOOMRKSXMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-10-11-17-19(23-15)13-12-18(20(17)24)21(25)22-14-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,10-13,24H,5-6,9,14H2,1H3,(H,22,25).
What are the key properties of 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide?
5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-(4-phenylbutyl)quinoline-6-carboxamide is sourced from PubChem (CID 135867468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).