N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide

C21H22N2O2 — CID 110326259

IUPACN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13-5-4-6-16(10-13)20(24)22-8-7-17-12-18-11-14(2)9-15(3)19(18)23-21(17)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRHNKKWMFPLAVKO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide

N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide (PubChem CID 110326259) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
PubChem CID110326259
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O2/c1-13-5-4-6-16(10-13)20(24)22-8-7-17-12-18-11-14(2)9-15(3)19(18)23-21(17)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyRHNKKWMFPLAVKO-UHFFFAOYSA-N
XLogP3.43
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 69445167
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
1-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylurea
CID 110326282
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110326328
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
CID 3460766
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methoxybenzamide
CID 16814032
3-(dimethylamino)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110662792
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]ethanesulfonamide
CID 110326306
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide (CID 110326259) is N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCc2cc3cc(C)cc(C)c3[nH]c2=O)c1.
What is the InChIKey of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide?
The InChIKey is RHNKKWMFPLAVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-5-4-6-16(10-13)20(24)22-8-7-17-12-18-11-14(2)9-15(3)19(18)23-21(17)25/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide?
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide is sourced from PubChem (CID 110326259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).