2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid

C18H16N2O3 — CID 110435512

IUPAC2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
SMILESCc1ccc(O)c(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-7-17(21)16(8-11)20-15-9-12(10-18(22)23)19-14-5-3-2-4-13(14)15/h2-9,21H,10H2,1H3,(H,19,20)(H,22,23)
InChIKeyKDHWKVDTAXVZHR-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.62
Rot. Bonds4

About 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid

2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid (PubChem CID 110435512) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
PubChem CID110435512
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
SMILESCc1ccc(O)c(Nc2cc(CC(=O)O)nc3ccccc23)c1
InChIInChI=1S/C18H16N2O3/c1-11-6-7-17(21)16(8-11)20-15-9-12(10-18(22)23)19-14-5-3-2-4-13(14)15/h2-9,21H,10H2,1H3,(H,19,20)(H,22,23)
InChIKeyKDHWKVDTAXVZHR-UHFFFAOYSA-N
XLogP3.62
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
methyl 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
CID 110435510
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435406
2-[4-(3-methoxycarbonylanilino)quinolin-2-yl]acetic acid
CID 110435490
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
2-[4-hydroxy-3-[(3-methylquinoxalin-2-yl)amino]phenyl]acetic acid
CID 136699960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid (CID 110435512) is 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid is Cc1ccc(O)c(Nc2cc(CC(=O)O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid?
The InChIKey is KDHWKVDTAXVZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11-6-7-17(21)16(8-11)20-15-9-12(10-18(22)23)19-14-5-3-2-4-13(14)15/h2-9,21H,10H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid?
2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid has a molecular weight of 308.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).