2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid

C17H16N2O3 — CID 21186078

IUPAC2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-16(21)13-8-2-3-9-14(13)18-17(22)19-11-5-7-12-6-1-4-10-15(12)19/h1-4,6,8-10H,5,7,11H2,(H,18,22)(H,20,21)
InChIKeyRDAKFADXZIYHHK-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.37
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid

2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid (PubChem CID 21186078) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
PubChem CID21186078
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H16N2O3/c20-16(21)13-8-2-3-9-14(13)18-17(22)19-11-5-7-12-6-1-4-10-15(12)19/h1-4,6,8-10H,5,7,11H2,(H,18,22)(H,20,21)
InChIKeyRDAKFADXZIYHHK-UHFFFAOYSA-N
XLogP3.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-(2-fluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 6468631
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
1-(3,4-dihydro-2H-quinoline-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 61184724
2-(1,3-dihydroisoindole-2-carbonylamino)benzoic acid
CID 62230167
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108991269
N-[2-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]cyclooctanecarboxamide;methane
CID 173251372
N-(2-ethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6468642
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-benzamidobenzoate
CID 7835824
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid?
The IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid (CID 21186078) is 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1CCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid?
The InChIKey is RDAKFADXZIYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(21)13-8-2-3-9-14(13)18-17(22)19-11-5-7-12-6-1-4-10-15(12)19/h1-4,6,8-10H,5,7,11H2,(H,18,22)(H,20,21).
What are the key properties of 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid?
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinoline-1-carbonylamino)benzoic acid is sourced from PubChem (CID 21186078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).