N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide

C21H22N2O3 — CID 4522233

IUPACN,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N(CCO)CCO)c2c1
InChIInChI=1S/C21H22N2O3/c1-15-7-8-19-17(13-15)18(21(26)23(9-11-24)10-12-25)14-20(22-19)16-5-3-2-4-6-16/h2-8,13-14,24-25H,9-12H2,1H3
InChIKeyRZHLCEUXARCWFR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide

N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide (PubChem CID 4522233) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
PubChem CID4522233
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)N(CCO)CCO)c2c1
InChIInChI=1S/C21H22N2O3/c1-15-7-8-19-17(13-15)18(21(26)23(9-11-24)10-12-25)14-20(22-19)16-5-3-2-4-6-16/h2-8,13-14,24-25H,9-12H2,1H3
InChIKeyRZHLCEUXARCWFR-UHFFFAOYSA-N
XLogP2.64
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
N,6-dimethyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 166190703
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
2-(2-carboxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 15376151
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
6-methyl-N-(2-methylnaphthalen-1-yl)-2-phenylquinoline-4-carboxamide
CID 3165781
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
6-methyl-N-(4-methyl-2-pyridinyl)-2-phenylquinoline-4-carboxamide
CID 16573417
6-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid
CID 4711644

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide (CID 4522233) is N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccccc3)cc(C(=O)N(CCO)CCO)c2c1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
The InChIKey is RZHLCEUXARCWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-7-8-19-17(13-15)18(21(26)23(9-11-24)10-12-25)14-20(22-19)16-5-3-2-4-6-16/h2-8,13-14,24-25H,9-12H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide?
N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4522233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).