2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide

C24H28N2O3 — CID 169412700

IUPAC2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide
SMILESCCCOc1ccc(-c2cc(C)c3cc(CC(=O)N(C)C)ccc3n2)cc1CO
InChIInChI=1S/C24H28N2O3/c1-5-10-29-23-9-7-18(14-19(23)15-27)22-11-16(2)20-12-17(6-8-21(20)25-22)13-24(28)26(3)4/h6-9,11-12,14,27H,5,10,13,15H2,1-4H3
InChIKeyMJHPGUJYNLKHPR-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.12
Rot. Bonds7

About 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide

2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide (PubChem CID 169412700) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide
PubChem CID169412700
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide
SMILESCCCOc1ccc(-c2cc(C)c3cc(CC(=O)N(C)C)ccc3n2)cc1CO
InChIInChI=1S/C24H28N2O3/c1-5-10-29-23-9-7-18(14-19(23)15-27)22-11-16(2)20-12-17(6-8-21(20)25-22)13-24(28)26(3)4/h6-9,11-12,14,27H,5,10,13,15H2,1-4H3
InChIKeyMJHPGUJYNLKHPR-UHFFFAOYSA-N
XLogP4.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169411482
1-[2-[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-6-yl]pyrrolidin-2-one
CID 169416106
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
3-[2-(1-ethyl-5-methylpyrazol-4-yl)-4-methylquinolin-6-yl]-N,N-dimethylpropanamide
CID 169420107
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]benzoic acid
CID 171915292
2-[2-[2-(dimethylamino)pyrimidin-5-yl]-4-methylquinolin-7-yl]acetamide
CID 169419336
2-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)quinolin-6-yl]acetamide
CID 170510978
2-(4-propoxyazulen-6-yl)acetic acid
CID 67554086
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
2-[4-(4-butoxyphenyl)-3-fluorophenyl]-6-fluoro-4-methylquinoline
CID 170148996

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide (CID 169412700) is 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide is CCCOc1ccc(-c2cc(C)c3cc(CC(=O)N(C)C)ccc3n2)cc1CO.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
The InChIKey is MJHPGUJYNLKHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-10-29-23-9-7-18(14-19(23)15-27)22-11-16(2)20-12-17(6-8-21(20)25-22)13-24(28)26(3)4/h6-9,11-12,14,27H,5,10,13,15H2,1-4H3.
What are the key properties of 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide?
2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide has a molecular weight of 392.50 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)-4-propoxyphenyl]-4-methylquinolin-6-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 169412700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).