2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C24H22N2O4 — CID 2826301

IUPAC2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C24H22N2O4/c1-27-19-11-15(12-20(28-2)23(19)29-3)21-17-10-9-14-7-5-6-8-16(14)22(17)26-24(30-4)18(21)13-25/h5-8,11-12H,9-10H2,1-4H3
InChIKeyFDUPAZQAEPUGBG-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.42
Rot. Bonds5

About 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 2826301) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID2826301
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESCOc1cc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C24H22N2O4/c1-27-19-11-15(12-20(28-2)23(19)29-3)21-17-10-9-14-7-5-6-8-16(14)22(17)26-24(30-4)18(21)13-25/h5-8,11-12H,9-10H2,1-4H3
InChIKeyFDUPAZQAEPUGBG-UHFFFAOYSA-N
XLogP4.42
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 2826301) is 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is COc1cc(-c2c(C#N)c(OC)nc3c2CCc2ccccc2-3)cc(OC)c1OC.
What is the InChIKey of 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is FDUPAZQAEPUGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-27-19-11-15(12-20(28-2)23(19)29-3)21-17-10-9-14-7-5-6-8-16(14)22(17)26-24(30-4)18(21)13-25/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 402.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 2826301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).