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

C22H18N2O3 — CID 177383267

IUPAC8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccc(OC)cc2CC3)cc1
InChIInChI=1S/C22H18N2O3/c1-26-15-6-3-13(4-7-15)20-18-9-5-14-11-16(27-2)8-10-17(14)21(18)24-22(25)19(20)12-23/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,24,25)
InChIKeyMQJLJWOEHOSPKG-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.70
Rot. Bonds3

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

8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (PubChem CID 177383267) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
PubChem CID177383267
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
SMILESCOc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccc(OC)cc2CC3)cc1
InChIInChI=1S/C22H18N2O3/c1-26-15-6-3-13(4-7-15)20-18-9-5-14-11-16(27-2)8-10-17(14)21(18)24-22(25)19(20)12-23/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,24,25)
InChIKeyMQJLJWOEHOSPKG-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-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile (CID 177383267) is 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is COc1ccc(-c2c3c([nH]c(=O)c2C#N)-c2ccc(OC)cc2CC3)cc1.
What is the InChIKey of 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
The InChIKey is MQJLJWOEHOSPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-26-15-6-3-13(4-7-15)20-18-9-5-14-11-16(27-2)8-10-17(14)21(18)24-22(25)19(20)12-23/h3-4,6-8,10-11H,5,9H2,1-2H3,(H,24,25).
What are the key properties of 8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile?
8-methoxy-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-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-4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 177383267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).