2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid

C21H22N2O3 — CID 110435384

IUPAC2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
SMILESCCCOc1ccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-21-17-6-4-5-7-19(17)22-14(2)18(21)13-20(24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyDGNNIXUMYVFWBB-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.70
Rot. Bonds7

About 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid

2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid (PubChem CID 110435384) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
PubChem CID110435384
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
SMILESCCCOc1ccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-21-17-6-4-5-7-19(17)22-14(2)18(21)13-20(24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyDGNNIXUMYVFWBB-UHFFFAOYSA-N
XLogP4.70
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
3-[4-[(4-methylacridin-9-yl)amino]phenoxy]propanoic acid;hydrochloride
CID 90673838
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid (CID 110435384) is 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid is CCCOc1ccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid?
The InChIKey is DGNNIXUMYVFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-12-26-16-10-8-15(9-11-16)23-21-17-6-4-5-7-19(17)22-14(2)18(21)13-20(24)25/h4-11H,3,12-13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid?
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid has a molecular weight of 350.42 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid is sourced from PubChem (CID 110435384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).