4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

C19H22N2O2 — CID 12909692

IUPAC4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCOc1ccc(C2Cc3ccccc3N=C(C)N2C)cc1OC
InChIInChI=1S/C19H22N2O2/c1-13-20-16-8-6-5-7-14(16)11-17(21(13)2)15-9-10-18(22-3)19(12-15)23-4/h5-10,12,17H,11H2,1-4H3
InChIKeyUUHIRELCTVZCJR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.98
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine

4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (PubChem CID 12909692) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
PubChem CID12909692
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine
SMILESCOc1ccc(C2Cc3ccccc3N=C(C)N2C)cc1OC
InChIInChI=1S/C19H22N2O2/c1-13-20-16-8-6-5-7-14(16)11-17(21(13)2)15-9-10-18(22-3)19(12-15)23-4/h5-10,12,17H,11H2,1-4H3
InChIKeyUUHIRELCTVZCJR-UHFFFAOYSA-N
XLogP3.98
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine (CID 12909692) is 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is COc1ccc(C2Cc3ccccc3N=C(C)N2C)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
The InChIKey is UUHIRELCTVZCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-20-16-8-6-5-7-14(16)11-17(21(13)2)15-9-10-18(22-3)19(12-15)23-4/h5-10,12,17H,11H2,1-4H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine?
4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine has a molecular weight of 310.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2,3-dimethyl-4,5-dihydro-1,3-benzodiazepine is sourced from PubChem (CID 12909692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).