2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine

C22H24N4O — CID 137285050

IUPAC2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine
SMILESC/N=C1\NC(C2=CCCN=C2)Nc2cc(-c3ccccc3OC)c(C)cc21
InChIInChI=1S/C22H24N4O/c1-14-11-18-19(12-17(14)16-8-4-5-9-20(16)27-3)25-21(26-22(18)23-2)15-7-6-10-24-13-15/h4-5,7-9,11-13,21,25H,6,10H2,1-3H3,(H,23,26)
InChIKeyZQIXNNUHWRCGEO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine

2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine (PubChem CID 137285050) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine
PubChem CID137285050
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine
SMILESC/N=C1\NC(C2=CCCN=C2)Nc2cc(-c3ccccc3OC)c(C)cc21
InChIInChI=1S/C22H24N4O/c1-14-11-18-19(12-17(14)16-8-4-5-9-20(16)27-3)25-21(26-22(18)23-2)15-7-6-10-24-13-15/h4-5,7-9,11-13,21,25H,6,10H2,1-3H3,(H,23,26)
InChIKeyZQIXNNUHWRCGEO-UHFFFAOYSA-N
XLogP3.79
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine?
The IUPAC name of 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine (CID 137285050) is 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine.
What is the SMILES notation for 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine?
The canonical SMILES for 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine is C/N=C1\NC(C2=CCCN=C2)Nc2cc(-c3ccccc3OC)c(C)cc21.
What is the InChIKey of 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine?
The InChIKey is ZQIXNNUHWRCGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-14-11-18-19(12-17(14)16-8-4-5-9-20(16)27-3)25-21(26-22(18)23-2)15-7-6-10-24-13-15/h4-5,7-9,11-13,21,25H,6,10H2,1-3H3,(H,23,26).
What are the key properties of 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine?
2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine has a molecular weight of 360.46 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-5-yl)-7-(2-methoxyphenyl)-N,6-dimethyl-2,3-dihydro-1H-quinazolin-4-imine is sourced from PubChem (CID 137285050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).