N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide

C21H22N2O2 — CID 4077939

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
SMILESCc1cc2cc(CCNC(=O)c3ccccc3C)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H22N2O2/c1-13-6-4-5-7-18(13)21(25)22-9-8-16-12-17-10-14(2)15(3)11-19(17)23-20(16)24/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZGRSHYUCLNSNGU-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds4

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide (PubChem CID 4077939) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
PubChem CID4077939
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
SMILESCc1cc2cc(CCNC(=O)c3ccccc3C)c(=O)[nH]c2cc1C
InChIInChI=1S/C21H22N2O2/c1-13-6-4-5-7-18(13)21(25)22-9-8-16-12-17-10-14(2)15(3)11-19(17)23-20(16)24/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyZGRSHYUCLNSNGU-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-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326347
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
1-benzyl-3-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7136903
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentanecarboxamide
CID 4091360
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331627
N-[2-(dimethylamino)ethyl]-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331619
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
2-(dimethylamino)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110616799

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide (CID 4077939) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide is Cc1cc2cc(CCNC(=O)c3ccccc3C)c(=O)[nH]c2cc1C.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide?
The InChIKey is ZGRSHYUCLNSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-6-4-5-7-18(13)21(25)22-9-8-16-12-17-10-14(2)15(3)11-19(17)23-20(16)24/h4-7,10-12H,8-9H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-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-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 4077939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).