N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

C21H22N2O3 — CID 1452932

IUPACN-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-14-4-3-5-17(10-14)21(26)23(8-9-24)13-18-12-16-7-6-15(2)11-19(16)22-20(18)25/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,22,25)
InChIKeySPKCWLNMFGSFPG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.78
Rot. Bonds5

About N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide

N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (PubChem CID 1452932) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
PubChem CID1452932
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
SMILESCc1cccc(C(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1
InChIInChI=1S/C21H22N2O3/c1-14-4-3-5-17(10-14)21(26)23(8-9-24)13-18-12-16-7-6-15(2)11-19(16)22-20(18)25/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,22,25)
InChIKeySPKCWLNMFGSFPG-UHFFFAOYSA-N
XLogP2.78
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 945176
3-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 1391861
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957
N-ethyl-3-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 945135
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3353793
N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 3193868
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
3-chloro-N-ethyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3159255

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide (CID 1452932) is N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is Cc1cccc(C(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
The InChIKey is SPKCWLNMFGSFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-4-3-5-17(10-14)21(26)23(8-9-24)13-18-12-16-7-6-15(2)11-19(16)22-20(18)25/h3-7,10-12,24H,8-9,13H2,1-2H3,(H,22,25).
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide?
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 1452932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).