3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate

C19H11N2O2- — CID 7037984

IUPAC3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2ccc3ccccc3c12
InChIInChI=1S/C19H12N2O2/c22-19(23)15-10-17(13-5-3-9-20-11-13)21-16-8-7-12-4-1-2-6-14(12)18(15)16/h1-11H,(H,22,23)/p-1
InChIKeyQARSWZWSCOJPOL-UHFFFAOYSA-M
MW299.31 g/mol
LogP2.81
Rot. Bonds2

About 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate

3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate (PubChem CID 7037984) has the molecular formula C19H11N2O2- and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate.

Molecular Properties

Compound Name3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
PubChem CID7037984
Molecular FormulaC19H11N2O2-
Molecular Weight299.31 g/mol
Exact Mass299.08
IUPAC Name3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2cccnc2)nc2ccc3ccccc3c12
InChIInChI=1S/C19H12N2O2/c22-19(23)15-10-17(13-5-3-9-20-11-13)21-16-8-7-12-4-1-2-6-14(12)18(15)16/h1-11H,(H,22,23)/p-1
InChIKeyQARSWZWSCOJPOL-UHFFFAOYSA-M
XLogP2.81
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
CID 4184777
3-[3-(4,6-dipyridin-3-ylpyrimidin-2-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185536
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
3-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-1-phenylbenzo[f]quinoline
CID 146185411
1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
CID 15271377
3-(3-chloro-4,5-diethoxyphenyl)benzo[f]quinoline-1-carboxylate
CID 4520507
3-[4-[4-(2,6-dipyridin-3-ylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 146185312
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
sodium 2-phenylquinoline-4-carboxylate
CID 23691042
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
6-bromo-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 694704

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate?
The IUPAC name of 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate (CID 7037984) is 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate.
What is the SMILES notation for 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate?
The canonical SMILES for 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate is O=C([O-])c1cc(-c2cccnc2)nc2ccc3ccccc3c12.
What is the InChIKey of 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate?
The InChIKey is QARSWZWSCOJPOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H12N2O2/c22-19(23)15-10-17(13-5-3-9-20-11-13)21-16-8-7-12-4-1-2-6-14(12)18(15)16/h1-11H,(H,22,23)/p-1.
What are the key properties of 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate?
3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylbenzo[f]quinoline-1-carboxylate is sourced from PubChem (CID 7037984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).