2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one

C17H19N3O2 — CID 10732770

IUPAC2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
SMILESCOc1ccc(C2(C)Nc3ccccc3C(=O)N(C)N2)cc1
InChIInChI=1S/C17H19N3O2/c1-17(12-8-10-13(22-3)11-9-12)18-15-7-5-4-6-14(15)16(21)20(2)19-17/h4-11,18-19H,1-3H3
InChIKeyIKDUNLDDAQPGCJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.57
Rot. Bonds2

About 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one

2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one (PubChem CID 10732770) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
PubChem CID10732770
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one
SMILESCOc1ccc(C2(C)Nc3ccccc3C(=O)N(C)N2)cc1
InChIInChI=1S/C17H19N3O2/c1-17(12-8-10-13(22-3)11-9-12)18-15-7-5-4-6-14(15)16(21)20(2)19-17/h4-11,18-19H,1-3H3
InChIKeyIKDUNLDDAQPGCJ-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-2-(4-nitrophenyl)-1,3-dihydro-1,3,4-benzotriazepin-5-one
CID 10686540
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
2-(4-methoxyphenyl)-2,4-dimethyl-1H-quinoline
CID 15834051
5-(4-methoxyphenyl)-5-methyl-6H-tetrazolo[1,5-c]quinazoline
CID 138006007
2-(4-hexoxyphenyl)-2-methyl-1,3-dihydroquinazolin-4-one
CID 54779345
3-(3-methoxypropyl)-2-methyl-2-(4-pentoxyphenyl)-1H-quinazolin-4-one
CID 54778314
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
2-[4-[[(1-tert-butyltetrazol-5-yl)-(4-methoxyphenyl)methyl]amino]phenyl]-2-methyl-1,3-dihydroquinazolin-4-one
CID 71682461
3-butyl-2-(4-hexoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778476
3-butan-2-yl-2-(3-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54779151
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
(5S)-2,5-bis(4-methoxyphenyl)-5-methyl-1,2,4-triazolidine-3-thione
CID 100599629

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one?
The IUPAC name of 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one (CID 10732770) is 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one?
The canonical SMILES for 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one is COc1ccc(C2(C)Nc3ccccc3C(=O)N(C)N2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one?
The InChIKey is IKDUNLDDAQPGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(12-8-10-13(22-3)11-9-12)18-15-7-5-4-6-14(15)16(21)20(2)19-17/h4-11,18-19H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one?
2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one has a molecular weight of 297.36 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2,4-dimethyl-1,3-dihydro-1,3,4-benzotriazepin-5-one is sourced from PubChem (CID 10732770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).