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

C18H16N2O2 — CID 110435464

IUPAC2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
SMILESCc1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-5-4-6-13(9-12)19-17-10-14(11-18(21)22)20-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyCEYZGXPWPIPFJW-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.91
Rot. Bonds4

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

2-[4-(3-methylanilino)quinolin-2-yl]acetic acid (PubChem CID 110435464) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
PubChem CID110435464
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
SMILESCc1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C18H16N2O2/c1-12-5-4-6-13(9-12)19-17-10-14(11-18(21)22)20-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyCEYZGXPWPIPFJW-UHFFFAOYSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435512
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435406
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
methyl 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid (CID 110435464) is 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid is Cc1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid?
The InChIKey is CEYZGXPWPIPFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-5-4-6-13(9-12)19-17-10-14(11-18(21)22)20-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid?
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid has a molecular weight of 292.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).