3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

C18H20N2O2 — CID 18070930

IUPAC3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESCOc1cc(C(=O)NC2CNc3ccccc3C2)ccc1C
InChIInChI=1S/C18H20N2O2/c1-12-7-8-14(10-17(12)22-2)18(21)20-15-9-13-5-3-4-6-16(13)19-11-15/h3-8,10,15,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyINUADCPUXQVHSP-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds3

About 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide

3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (PubChem CID 18070930) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
PubChem CID18070930
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
SMILESCOc1cc(C(=O)NC2CNc3ccccc3C2)ccc1C
InChIInChI=1S/C18H20N2O2/c1-12-7-8-14(10-17(12)22-2)18(21)20-15-9-13-5-3-4-6-16(13)19-11-15/h3-8,10,15,19H,9,11H2,1-2H3,(H,20,21)
InChIKeyINUADCPUXQVHSP-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydroquinolin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43823005
4-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 43823004
ethyl N-(1,2,3,4-tetrahydroquinolin-3-yl)carbamate
CID 19697803
3-methoxy-4-methyl-N-(4-oxocyclohexyl)benzamide
CID 43652834
2-chloro-5-hydroxy-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide
CID 106500916
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
2-[5-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-2-methoxyphenoxy]acetic acid
CID 97233703
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
(3S)-N-methyl-1,2,3,4-tetrahydroquinolin-3-amine
CID 96558902
N-cyclopropyl-2-[2-(3-methoxy-4-methylbenzoyl)hydrazinyl]-2-oxoacetamide
CID 8532471

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide (CID 18070930) is 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is COc1cc(C(=O)NC2CNc3ccccc3C2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
The InChIKey is INUADCPUXQVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-7-8-14(10-17(12)22-2)18(21)20-15-9-13-5-3-4-6-16(13)19-11-15/h3-8,10,15,19H,9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide?
3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(1,2,3,4-tetrahydroquinolin-3-yl)benzamide is sourced from PubChem (CID 18070930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).