1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide

C19H24N2O — CID 139938827

IUPAC1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2cnc3ccccc3c2C)CCCCC1
InChIInChI=1S/C19H24N2O/c1-3-19(11-7-4-8-12-19)18(22)21-17-13-20-16-10-6-5-9-15(16)14(17)2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyFRFUGMDZMFIDPJ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.84
Rot. Bonds3

About 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide

1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide (PubChem CID 139938827) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide
PubChem CID139938827
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide
SMILESCCC1(C(=O)Nc2cnc3ccccc3c2C)CCCCC1
InChIInChI=1S/C19H24N2O/c1-3-19(11-7-4-8-12-19)18(22)21-17-13-20-16-10-6-5-9-15(16)14(17)2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,21,22)
InChIKeyFRFUGMDZMFIDPJ-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide (CID 139938827) is 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide is CCC1(C(=O)Nc2cnc3ccccc3c2C)CCCCC1.
What is the InChIKey of 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is FRFUGMDZMFIDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-19(11-7-4-8-12-19)18(22)21-17-13-20-16-10-6-5-9-15(16)14(17)2/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,21,22).
What are the key properties of 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide?
1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methylquinolin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139938827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).