7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

C12H15ClN2O — CID 84629272

IUPAC7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCc1c(Cl)ccc2c1N(C)C(=O)C(C)CN2
InChIInChI=1S/C12H15ClN2O/c1-7-6-14-10-5-4-9(13)8(2)11(10)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3
InChIKeyMPLXTSAOVITLEI-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.67
Rot. Bonds

About 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one

7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (PubChem CID 84629272) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
PubChem CID84629272
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
SMILESCc1c(Cl)ccc2c1N(C)C(=O)C(C)CN2
InChIInChI=1S/C12H15ClN2O/c1-7-6-14-10-5-4-9(13)8(2)11(10)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3
InChIKeyMPLXTSAOVITLEI-UHFFFAOYSA-N
XLogP2.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1,3,6-trimethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84629273
7-chloro-3,5,6-trimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 84624783
8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
CID 84624318
7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629266
1,3,6,7-tetramethyl-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84623085
(3R)-5-[2-(4-chloro-3-methylphenoxy)ethyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 96571523
5-[(4-chlorophenyl)methyl]-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896309
2,4-dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),8,11-trien-3-one;ethane
CID 142089836
3-(7-chloro-6-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid
CID 84643022
4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one
CID 10421432
9-amino-7-chloro-3,5,6,8-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233422
3-methyl-2,3-dihydro-1H-quinolin-4-one
CID 14714861

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The IUPAC name of 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one (CID 84629272) is 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
What is the SMILES notation for 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The canonical SMILES for 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is Cc1c(Cl)ccc2c1N(C)C(=O)C(C)CN2.
What is the InChIKey of 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
The InChIKey is MPLXTSAOVITLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-6-14-10-5-4-9(13)8(2)11(10)15(3)12(7)16/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one?
7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one has a molecular weight of 238.72 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,5,6-trimethyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one is sourced from PubChem (CID 84629272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).