9-aminophenanthridine-6-carboxylic acid

C14H10N2O2 — CID 131861121

IUPAC9-aminophenanthridine-6-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2/c15-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)14(17)18/h1-7H,15H2,(H,17,18)
InChIKeyBECKTJHKQZLUIQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.67
Rot. Bonds1

About 9-aminophenanthridine-6-carboxylic acid

9-aminophenanthridine-6-carboxylic acid (PubChem CID 131861121) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 9-aminophenanthridine-6-carboxylic acid.

Molecular Properties

Compound Name9-aminophenanthridine-6-carboxylic acid
PubChem CID131861121
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name9-aminophenanthridine-6-carboxylic acid
SMILESNc1ccc2c(C(=O)O)nc3ccccc3c2c1
InChIInChI=1S/C14H10N2O2/c15-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)14(17)18/h1-7H,15H2,(H,17,18)
InChIKeyBECKTJHKQZLUIQ-UHFFFAOYSA-N
XLogP2.67
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

iridium;phenanthridine-6-carboxylic acid
CID 59015465
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
formic acid;quinoline-2,3-dicarboxylic acid
CID 174725095
carbazol-9-yl(phenanthridin-6-yl)methanone
CID 139193554
3-amino-4-nitroquinoline-2-carboxamide
CID 19034639
5-amino-1-methylindazole-3-carboxylic acid
CID 84663060
3-(4-hydroxyphenyl)quinoline-2,4-dicarboxylic acid
CID 704860
N-tert-butylphenanthridine-6-carboxamide
CID 102585131
2-aminoacridine-1-carboxylic acid
CID 122423819
3-phenylisoquinoline-1-carboxylic acid
CID 13336383
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950

Frequently Asked Questions

What is the IUPAC name of 9-aminophenanthridine-6-carboxylic acid?
The IUPAC name of 9-aminophenanthridine-6-carboxylic acid (CID 131861121) is 9-aminophenanthridine-6-carboxylic acid.
What is the SMILES notation for 9-aminophenanthridine-6-carboxylic acid?
The canonical SMILES for 9-aminophenanthridine-6-carboxylic acid is Nc1ccc2c(C(=O)O)nc3ccccc3c2c1.
What is the InChIKey of 9-aminophenanthridine-6-carboxylic acid?
The InChIKey is BECKTJHKQZLUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)14(17)18/h1-7H,15H2,(H,17,18).
What are the key properties of 9-aminophenanthridine-6-carboxylic acid?
9-aminophenanthridine-6-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-aminophenanthridine-6-carboxylic acid is sourced from PubChem (CID 131861121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).