5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

C19H12N2O3 — CID 57396761

IUPAC5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc12
InChIInChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24)
InChIKeyRBQHWKKGMVDAKR-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.85
Rot. Bonds2

About 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid

5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (PubChem CID 57396761) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
PubChem CID57396761
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Name5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc12
InChIInChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24)
InChIKeyRBQHWKKGMVDAKR-UHFFFAOYSA-N
XLogP3.85
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid (CID 57396761) is 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc12.
What is the InChIKey of 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
The InChIKey is RBQHWKKGMVDAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24).
What are the key properties of 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid?
5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyphenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 57396761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).