5-methylbenzo[h]isoquinoline-8-carboxylic acid

C15H11NO2 — CID 137464029

IUPAC5-methylbenzo[h]isoquinoline-8-carboxylic acid
SMILESCc1cc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C15H11NO2/c1-9-6-11-7-10(15(17)18)2-3-13(11)14-8-16-5-4-12(9)14/h2-8H,1H3,(H,17,18)
InChIKeyMWNFIECEFKUCHS-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.39
Rot. Bonds1

About 5-methylbenzo[h]isoquinoline-8-carboxylic acid

5-methylbenzo[h]isoquinoline-8-carboxylic acid (PubChem CID 137464029) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-methylbenzo[h]isoquinoline-8-carboxylic acid.

Molecular Properties

Compound Name5-methylbenzo[h]isoquinoline-8-carboxylic acid
PubChem CID137464029
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name5-methylbenzo[h]isoquinoline-8-carboxylic acid
SMILESCc1cc2cc(C(=O)O)ccc2c2cnccc12
InChIInChI=1S/C15H11NO2/c1-9-6-11-7-10(15(17)18)2-3-13(11)14-8-16-5-4-12(9)14/h2-8H,1H3,(H,17,18)
InChIKeyMWNFIECEFKUCHS-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid
CID 3922
4-Quinolinecarboxylic acid
CID 10243
Isoquinoline-3-carboxylic acid
CID 124656
2-(Pyridin-3-yl)benzoic acid
CID 2760505
3-(Pyridin-3-yl)benzoic acid
CID 2795575
8-Quinolinecarboxylic acid
CID 66582
Isoquinoline-1-carboxylic acid
CID 68092
Isoquinoline-5-carboxylic acid
CID 260936
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
4-Pyridin-3-yl-benzoic acid
CID 1515244
Methyl isoquinoline-5-carboxylate
CID 313259

Frequently Asked Questions

What is the IUPAC name of 5-methylbenzo[h]isoquinoline-8-carboxylic acid?
The IUPAC name of 5-methylbenzo[h]isoquinoline-8-carboxylic acid (CID 137464029) is 5-methylbenzo[h]isoquinoline-8-carboxylic acid.
What is the SMILES notation for 5-methylbenzo[h]isoquinoline-8-carboxylic acid?
The canonical SMILES for 5-methylbenzo[h]isoquinoline-8-carboxylic acid is Cc1cc2cc(C(=O)O)ccc2c2cnccc12.
What is the InChIKey of 5-methylbenzo[h]isoquinoline-8-carboxylic acid?
The InChIKey is MWNFIECEFKUCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-9-6-11-7-10(15(17)18)2-3-13(11)14-8-16-5-4-12(9)14/h2-8H,1H3,(H,17,18).
What are the key properties of 5-methylbenzo[h]isoquinoline-8-carboxylic acid?
5-methylbenzo[h]isoquinoline-8-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbenzo[h]isoquinoline-8-carboxylic acid is sourced from PubChem (CID 137464029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).