N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide

C22H24N2O2 — CID 3460766

IUPACN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1
InChIInChI=1S/C22H24N2O2/c1-13-9-14(2)11-18(10-13)21(25)23-8-7-17-12-19-15(3)5-6-16(4)20(19)24-22(17)26/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBSWILDDVPRATIY-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.73
Rot. Bonds4

About N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide

N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide (PubChem CID 3460766) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
PubChem CID3460766
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1
InChIInChI=1S/C22H24N2O2/c1-13-9-14(2)11-18(10-13)21(25)23-8-7-17-12-19-15(3)5-6-16(4)20(19)24-22(17)26/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyBSWILDDVPRATIY-UHFFFAOYSA-N
XLogP3.73
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.73
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]-4-methylbenzamide
CID 4191562
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 5017374
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 4257940
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 5121477
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 4989152
N-[2-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzamide
CID 110326259
3-(hydroxymethyl)-5,8-dimethyl-1H-quinolin-2-one
CID 865117
1-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136945
(Z)-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 16814021
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 4054510
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 7080101
3-cyclopentyl-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 3672068

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide (CID 3460766) is N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)c1.
What is the InChIKey of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide?
The InChIKey is BSWILDDVPRATIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13-9-14(2)11-18(10-13)21(25)23-8-7-17-12-19-15(3)5-6-16(4)20(19)24-22(17)26/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide?
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 3460766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).