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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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).