2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid

C20H20N2O3 — CID 110435510

IUPAC2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
SMILESCCCOc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-11-25-16-9-7-14(8-10-16)21-19-12-15(13-20(23)24)22-18-6-4-3-5-17(18)19/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMJWIXNDDIDTBAI-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.39
Rot. Bonds7

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

2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid (PubChem CID 110435510) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
PubChem CID110435510
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid
SMILESCCCOc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-2-11-25-16-9-7-14(8-10-16)21-19-12-15(13-20(23)24)22-18-6-4-3-5-17(18)19/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyMJWIXNDDIDTBAI-UHFFFAOYSA-N
XLogP4.39
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
2-[4-(3,5-dichloroanilino)quinolin-2-yl]acetic acid
CID 110435504
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-(2-methoxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435483
2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435406
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
CID 110432724
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid (CID 110435510) is 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid is CCCOc1ccc(Nc2cc(CC(=O)O)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid?
The InChIKey is MJWIXNDDIDTBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-11-25-16-9-7-14(8-10-16)21-19-12-15(13-20(23)24)22-18-6-4-3-5-17(18)19/h3-10,12H,2,11,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid?
2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propoxyanilino)quinolin-2-yl]acetic acid is sourced from PubChem (CID 110435510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).