4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid

C18H18N2O3 — CID 28866702

IUPAC4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-9-7-14(8-10-15)18(22)23)12-20-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-10H,3,5,11-12H2,(H,19,21)(H,22,23)
InChIKeyFWESSUZFEIOYRA-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.78
Rot. Bonds4

About 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid (PubChem CID 28866702) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
PubChem CID28866702
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid
SMILESO=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O3/c21-17(19-15-9-7-14(8-10-15)18(22)23)12-20-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-10H,3,5,11-12H2,(H,19,21)(H,22,23)
InChIKeyFWESSUZFEIOYRA-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 54817007
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 46657943
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
4-[(Z)-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9258347
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087425
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N-[3-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817030
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 8659384

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid (CID 28866702) is 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid is O=C(CN1CCCc2ccccc21)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is FWESSUZFEIOYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(19-15-9-7-14(8-10-15)18(22)23)12-20-11-3-5-13-4-1-2-6-16(13)20/h1-2,4,6-10H,3,5,11-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid?
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 310.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 28866702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).