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

C19H16N2O4 — CID 110435490

IUPAC2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
SMILESCOC(=O)c1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C19H16N2O4/c1-25-19(24)12-5-4-6-13(9-12)20-17-10-14(11-18(22)23)21-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyZRTPYCRGFOPVAY-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.39
Rot. Bonds5

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

2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid (PubChem CID 110435490) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
PubChem CID110435490
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
SMILESCOC(=O)c1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C19H16N2O4/c1-25-19(24)12-5-4-6-13(9-12)20-17-10-14(11-18(22)23)21-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,20,21)(H,22,23)
InChIKeyZRTPYCRGFOPVAY-UHFFFAOYSA-N
XLogP3.39
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
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
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435406
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid (CID 110435490) is 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid is COC(=O)c1cccc(Nc2cc(CC(=O)O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid?
The InChIKey is ZRTPYCRGFOPVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-25-19(24)12-5-4-6-13(9-12)20-17-10-14(11-18(22)23)21-16-8-3-2-7-15(16)17/h2-10H,11H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid?
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid has a molecular weight of 336.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).