N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide

C24H28N2O3 — CID 645163

IUPACN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H28N2O3/c1-16-11-19-13-20(23(27)25-22(19)12-17(16)2)14-26(15-21-9-6-10-29-21)24(28)18-7-4-3-5-8-18/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,25,27)
InChIKeyHEISPDUCXHSEJU-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.85
Rot. Bonds5

About N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide

N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 645163) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID645163
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
SMILESCc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C
InChIInChI=1S/C24H28N2O3/c1-16-11-19-13-20(23(27)25-22(19)12-17(16)2)14-26(15-21-9-6-10-29-21)24(28)18-7-4-3-5-8-18/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,25,27)
InChIKeyHEISPDUCXHSEJU-UHFFFAOYSA-N
XLogP4.85
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide (CID 645163) is N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is Cc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is HEISPDUCXHSEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-11-19-13-20(23(27)25-22(19)12-17(16)2)14-26(15-21-9-6-10-29-21)24(28)18-7-4-3-5-8-18/h6,9-13,18H,3-5,7-8,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide?
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 392.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 645163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).