N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

C26H30N2O2 — CID 5051673

IUPACN-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCc1cccc(Cn2c(=O)cc(C(=O)NC3CCCCCCC3)c3ccccc32)c1
InChIInChI=1S/C26H30N2O2/c1-19-10-9-11-20(16-19)18-28-24-15-8-7-14-22(24)23(17-25(28)29)26(30)27-21-12-5-3-2-4-6-13-21/h7-11,14-17,21H,2-6,12-13,18H2,1H3,(H,27,30)
InChIKeyOAXZVLZLZVECTM-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.20
Rot. Bonds4

About N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide

N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (PubChem CID 5051673) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
PubChem CID5051673
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESCc1cccc(Cn2c(=O)cc(C(=O)NC3CCCCCCC3)c3ccccc32)c1
InChIInChI=1S/C26H30N2O2/c1-19-10-9-11-20(16-19)18-28-24-15-8-7-14-22(24)23(17-25(28)29)26(30)27-21-12-5-3-2-4-6-13-21/h7-11,14-17,21H,2-6,12-13,18H2,1H3,(H,27,30)
InChIKeyOAXZVLZLZVECTM-UHFFFAOYSA-N
XLogP5.20
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide (CID 5051673) is N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is Cc1cccc(Cn2c(=O)cc(C(=O)NC3CCCCCCC3)c3ccccc32)c1.
What is the InChIKey of N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is OAXZVLZLZVECTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-19-10-9-11-20(16-19)18-28-24-15-8-7-14-22(24)23(17-25(28)29)26(30)27-21-12-5-3-2-4-6-13-21/h7-11,14-17,21H,2-6,12-13,18H2,1H3,(H,27,30).
What are the key properties of N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide?
N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-[(3-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 5051673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).