N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide

C21H22N2O2 — CID 78865370

IUPACN-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O2/c1-15-8-9-18-13-19(16(2)22-20(18)12-15)21(25)23(10-11-24)14-17-6-4-3-5-7-17/h3-9,12-13,24H,10-11,14H2,1-2H3
InChIKeyCMFMTDDDHYTGNE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.49
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide (PubChem CID 78865370) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
PubChem CID78865370
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H22N2O2/c1-15-8-9-18-13-19(16(2)22-20(18)12-15)21(25)23(10-11-24)14-17-6-4-3-5-7-17/h3-9,12-13,24H,10-11,14H2,1-2H3
InChIKeyCMFMTDDDHYTGNE-UHFFFAOYSA-N
XLogP3.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78855120
N-benzyl-N-(2-hydroxyethyl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78855200
N-benzyl-N-(2-hydroxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107027966
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
CID 111969900
N-(2-hydroxyethyl)-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 111122151
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4522233
N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(2-aminoethyl)-N-benzyl-2-hydroxy-5-methylbenzamide
CID 61014053
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
N-benzyl-2,4-dibromo-N-(2-hydroxyethyl)benzamide
CID 103882425

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide (CID 78865370) is N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)c(C)nc2c1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is CMFMTDDDHYTGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-8-9-18-13-19(16(2)22-20(18)12-15)21(25)23(10-11-24)14-17-6-4-3-5-7-17/h3-9,12-13,24H,10-11,14H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 78865370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).