8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile

C22H18N2O3 — CID 2737981

IUPAC8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
SMILESCOc1cccc(-c2c3c([nH]c(=O)c2C#N)CCc2cc(OC)ccc2-3)c1
InChIInChI=1S/C22H18N2O3/c1-26-15-5-3-4-14(11-15)20-18(12-23)22(25)24-19-9-6-13-10-16(27-2)7-8-17(13)21(19)20/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,24,25)
InChIKeyLLOYFPGCYDHGQN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.70
Rot. Bonds3

About 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile

8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile (PubChem CID 2737981) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile.

Molecular Properties

Compound Name8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
PubChem CID2737981
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile
SMILESCOc1cccc(-c2c3c([nH]c(=O)c2C#N)CCc2cc(OC)ccc2-3)c1
InChIInChI=1S/C22H18N2O3/c1-26-15-5-3-4-14(11-15)20-18(12-23)22(25)24-19-9-6-13-10-16(27-2)7-8-17(13)21(19)20/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,24,25)
InChIKeyLLOYFPGCYDHGQN-UHFFFAOYSA-N
XLogP3.70
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile?
The IUPAC name of 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile (CID 2737981) is 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile.
What is the SMILES notation for 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile?
The canonical SMILES for 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile is COc1cccc(-c2c3c([nH]c(=O)c2C#N)CCc2cc(OC)ccc2-3)c1.
What is the InChIKey of 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile?
The InChIKey is LLOYFPGCYDHGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-15-5-3-4-14(11-15)20-18(12-23)22(25)24-19-9-6-13-10-16(27-2)7-8-17(13)21(19)20/h3-5,7-8,10-11H,6,9H2,1-2H3,(H,24,25).
What are the key properties of 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile?
8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile has a molecular weight of 358.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-(3-methoxyphenyl)-3-oxo-5,6-dihydro-4H-benzo[f]quinoline-2-carbonitrile is sourced from PubChem (CID 2737981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).