N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C25H26N2O3 — CID 20729958

IUPACN-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N2O3/c1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22/h3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29)
InChIKeyNGDIPTWHUBVDTA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.61
Rot. Bonds5

About N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 20729958) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID20729958
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1
InChIInChI=1S/C25H26N2O3/c1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22/h3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29)
InChIKeyNGDIPTWHUBVDTA-UHFFFAOYSA-N
XLogP4.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-6-(methylamino)cyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729957
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
N-[2-(dimethylamino)-6-methylcyclohexyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729939
[3-methyl-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexyl] 4-methylbenzoate
CID 20729910
cis-ethyl (1S,3R)-3-hydroxy-2-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]cyclohexane-1-carboxylate
CID 58582396
methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxolane-3-carboxylate
CID 68858445
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-[2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylquinolin-4-yl)methoxy]naphthalene-2-carboxamide
CID 22258460
(2S,3R)-N-hydroxy-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-2-carboxamide
CID 20729877
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192
(3R,4R)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907236
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 20729958) is N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3C(=O)CCCC3C)cc2)c2ccccc2n1.
What is the InChIKey of N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is NGDIPTWHUBVDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-6-5-9-23(28)24(16)27-25(29)18-10-12-20(13-11-18)30-15-19-14-17(2)26-22-8-4-3-7-21(19)22/h3-4,7-8,10-14,16,24H,5-6,9,15H2,1-2H3,(H,27,29).
What are the key properties of N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 20729958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).