3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one

C23H23ClN2O — CID 66801392

IUPAC3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cc(Cl)ccc1-3
InChIInChI=1S/C23H23ClN2O/c1-14-7-9-18-20(11-14)26-13-21(27)25-19-12-16(24)8-10-17(19)23(26)22(18)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27)
InChIKeyHZTJSFAEJDMAJT-UHFFFAOYSA-N
MW378.90 g/mol
LogP6.27
Rot. Bonds1

About 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one

3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one (PubChem CID 66801392) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one
PubChem CID66801392
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one
SMILESCc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cc(Cl)ccc1-3
InChIInChI=1S/C23H23ClN2O/c1-14-7-9-18-20(11-14)26-13-21(27)25-19-12-16(24)8-10-17(19)23(26)22(18)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27)
InChIKeyHZTJSFAEJDMAJT-UHFFFAOYSA-N
XLogP6.27
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one?
The IUPAC name of 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one (CID 66801392) is 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one?
The canonical SMILES for 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one is Cc1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1cc(Cl)ccc1-3.
What is the InChIKey of 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one?
The InChIKey is HZTJSFAEJDMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-14-7-9-18-20(11-14)26-13-21(27)25-19-12-16(24)8-10-17(19)23(26)22(18)15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,25,27).
What are the key properties of 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one?
3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one has a molecular weight of 378.90 g/mol, XLogP of 6.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-13-cyclohexyl-10-methyl-5,7-dihydroindolo[1,2-d][1,4]benzodiazepin-6-one is sourced from PubChem (CID 66801392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).