5H-quinoline-1-carboxylic acid

C10H9NO2 — CID 136735918

IUPAC5H-quinoline-1-carboxylic acid
SMILESO=C(O)N1C=CC=C2CC=CC=C21
InChIInChI=1S/C10H9NO2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11/h1-3,5-7H,4H2,(H,12,13)
InChIKeyIJDDQRQHGMQGFK-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.26
Rot. Bonds

About 5H-quinoline-1-carboxylic acid

5H-quinoline-1-carboxylic acid (PubChem CID 136735918) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5H-quinoline-1-carboxylic acid.

Molecular Properties

Compound Name5H-quinoline-1-carboxylic acid
PubChem CID136735918
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5H-quinoline-1-carboxylic acid
SMILESO=C(O)N1C=CC=C2CC=CC=C21
InChIInChI=1S/C10H9NO2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11/h1-3,5-7H,4H2,(H,12,13)
InChIKeyIJDDQRQHGMQGFK-UHFFFAOYSA-N
XLogP2.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,10-Phenanthroline-1,10-dicarboxylic acid
CID 57270211
4-(1-carboxy-3,6-dihydro-2H-pyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 67187864
4-(1,2-dihydropyridin-3-yl)-2H-pyridine-1-carboxylic acid
CID 68934362
3,5-dihydro-1H-isoquinoline-2-carboxylic acid
CID 69469866
2,3-dihydro-1H-phenanthridine-5-carboxylic acid
CID 87522063
5,6-dihydro-1H-isoquinoline-2-carboxylic acid
CID 89877709
6,7-dihydro-1H-isoquinoline-2-carboxylic acid
CID 89877789
4,5-Dihydropyrazolo[3,4-g]isoquinoline-6-carboxylic acid
CID 90016484
6,7-Dihydropyrido[1,2-a]pyrazine-2-carboxylic acid
CID 90303788
4-(1-carboxy-2H-pyridin-4-yl)-6-methyl-2H-pyridine-1-carboxylic acid
CID 118020835
4-(1-Carboxy-4-pyridinylidene)-2-methylpyridine-1-carboxylic acid
CID 118020836
4-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 140125861

Frequently Asked Questions

What is the IUPAC name of 5H-quinoline-1-carboxylic acid?
The IUPAC name of 5H-quinoline-1-carboxylic acid (CID 136735918) is 5H-quinoline-1-carboxylic acid.
What is the SMILES notation for 5H-quinoline-1-carboxylic acid?
The canonical SMILES for 5H-quinoline-1-carboxylic acid is O=C(O)N1C=CC=C2CC=CC=C21.
What is the InChIKey of 5H-quinoline-1-carboxylic acid?
The InChIKey is IJDDQRQHGMQGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10(13)11-7-3-5-8-4-1-2-6-9(8)11/h1-3,5-7H,4H2,(H,12,13).
What are the key properties of 5H-quinoline-1-carboxylic acid?
5H-quinoline-1-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-quinoline-1-carboxylic acid is sourced from PubChem (CID 136735918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).