3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate

C22H13N2O2- — CID 4278514

IUPAC3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2c[nH]c3ccccc23)nc2ccc3ccccc3c12
InChIInChI=1S/C22H14N2O2/c25-22(26)16-11-20(17-12-23-18-8-4-3-7-15(17)18)24-19-10-9-13-5-1-2-6-14(13)21(16)19/h1-12,23H,(H,25,26)/p-1
InChIKeySZCPWPAPBYBWJH-UHFFFAOYSA-M
MW337.36 g/mol
LogP3.90
Rot. Bonds2

About 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate

3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate (PubChem CID 4278514) has the molecular formula C22H13N2O2- and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate.

Molecular Properties

Compound Name3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
PubChem CID4278514
Molecular FormulaC22H13N2O2-
Molecular Weight337.36 g/mol
Exact Mass337.10
IUPAC Name3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
SMILESO=C([O-])c1cc(-c2c[nH]c3ccccc23)nc2ccc3ccccc3c12
InChIInChI=1S/C22H14N2O2/c25-22(26)16-11-20(17-12-23-18-8-4-3-7-15(17)18)24-19-10-9-13-5-1-2-6-14(13)21(16)19/h1-12,23H,(H,25,26)/p-1
InChIKeySZCPWPAPBYBWJH-UHFFFAOYSA-M
XLogP3.90
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chlorophenyl)benzo[f]quinoline-1-carboxylate
CID 4184777
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
8-chloro-2-(1H-indol-3-yl)quinoline-4-carboxylic acid
CID 18729725
3-(3-chloro-4,5-diethoxyphenyl)benzo[f]quinoline-1-carboxylate
CID 4520507
sodium 1H-indole-3-carboxylate
CID 23698293
2-(5-bromo-1H-indol-3-yl)quinoline-4-carboxamide
CID 59930142
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
3-[5-(2-fluorophenyl)furan-2-yl]benzo[f]quinoline-1-carboxylic acid
CID 1015909
4-(1H-indol-3-yl)-2-phenylquinoline
CID 54613197
1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
CID 174735323

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate?
The IUPAC name of 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate (CID 4278514) is 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate.
What is the SMILES notation for 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate?
The canonical SMILES for 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate is O=C([O-])c1cc(-c2c[nH]c3ccccc23)nc2ccc3ccccc3c12.
What is the InChIKey of 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate?
The InChIKey is SZCPWPAPBYBWJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H14N2O2/c25-22(26)16-11-20(17-12-23-18-8-4-3-7-15(17)18)24-19-10-9-13-5-1-2-6-14(13)21(16)19/h1-12,23H,(H,25,26)/p-1.
What are the key properties of 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate?
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate has a molecular weight of 337.36 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate is sourced from PubChem (CID 4278514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).