6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile

C22H20N2O3 — CID 132992652

IUPAC6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile
SMILESCOc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H20N2O3/c1-14-21(15-5-7-17(25-2)8-6-15)18-10-20(27-4)19(26-3)9-16(18)11-22(14,12-23)13-24/h5-10H,11H2,1-4H3
InChIKeyJNSZZMLOSLEHIK-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.12
Rot. Bonds4

About 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile

6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile (PubChem CID 132992652) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile
PubChem CID132992652
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile
SMILESCOc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H20N2O3/c1-14-21(15-5-7-17(25-2)8-6-15)18-10-20(27-4)19(26-3)9-16(18)11-22(14,12-23)13-24/h5-10H,11H2,1-4H3
InChIKeyJNSZZMLOSLEHIK-UHFFFAOYSA-N
XLogP4.12
TPSA75.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Verapamil
CID 2520
Terameprocol
CID 476861
Dexverapamil
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2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile
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3,4-Dimethoxybenzeneacetonitrile
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Cyclotriveratrylene
CID 273730
alpha-(3-Aminopropyl)-3,4-dimethoxy-alpha-(1-methylethyl)benzeneacetonitrile
CID 161569
(17Beta)-17-(cyanomethyl)-2-methoxyestra-1(10),2,4-trien-3-yl sulfamate
CID 11188898
(S)-Verapamil
CID 92305
Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin, 2,13(or 2,14)-bis(1,1-dimethylethyl)-6,7,9,10,17,18,20,21-octahydro-
CID 169043
3,4-Dimethoxybenzonitrile
CID 74842
Devapamil
CID 65832

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile (CID 132992652) is 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile is COc1ccc(C2=C(C)C(C#N)(C#N)Cc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
The InChIKey is JNSZZMLOSLEHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-14-21(15-5-7-17(25-2)8-6-15)18-10-20(27-4)19(26-3)9-16(18)11-22(14,12-23)13-24/h5-10H,11H2,1-4H3.
What are the key properties of 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile?
6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile has a molecular weight of 360.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxyphenyl)-3-methyl-1H-naphthalene-2,2-dicarbonitrile is sourced from PubChem (CID 132992652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).