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

C19H18N2O2 — CID 110435349

IUPAC2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
SMILESCc1cccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O2/c1-12-6-5-7-14(10-12)21-19-15-8-3-4-9-17(15)20-13(2)16(19)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBWTZIABESUQXGR-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.22
Rot. Bonds4

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

2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid (PubChem CID 110435349) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
PubChem CID110435349
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
SMILESCc1cccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)c1
InChIInChI=1S/C19H18N2O2/c1-12-6-5-7-14(10-12)21-19-15-8-3-4-9-17(15)20-13(2)16(19)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyBWTZIABESUQXGR-UHFFFAOYSA-N
XLogP4.22
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
2-[4-(2-hydroxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432578
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
N-(3-methylphenyl)-1,3-dihydrothieno[3,4-b]quinolin-9-amine
CID 110435258

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid?
The IUPAC name of 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid (CID 110435349) is 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid is Cc1cccc(Nc2c(CC(=O)O)c(C)nc3ccccc23)c1.
What is the InChIKey of 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid?
The InChIKey is BWTZIABESUQXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-6-5-7-14(10-12)21-19-15-8-3-4-9-17(15)20-13(2)16(19)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid?
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid has a molecular weight of 306.37 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid is sourced from PubChem (CID 110435349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).