6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C15H15N3O — CID 15301085

IUPAC6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCc1cc2c(cc1C)N(C)C(=O)c1cccnc1N2
InChIInChI=1S/C15H15N3O/c1-9-7-12-13(8-10(9)2)18(3)15(19)11-5-4-6-16-14(11)17-12/h4-8H,1-3H3,(H,16,17)
InChIKeyHFZKSKRXGCRCKY-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.03
Rot. Bonds

About 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one

6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 15301085) has the molecular formula C15H15N3O and a molecular weight of 253.30 g/mol. Its IUPAC name is 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID15301085
Molecular FormulaC15H15N3O
Molecular Weight253.30 g/mol
Exact Mass253.12
IUPAC Name6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCc1cc2c(cc1C)N(C)C(=O)c1cccnc1N2
InChIInChI=1S/C15H15N3O/c1-9-7-12-13(8-10(9)2)18(3)15(19)11-5-4-6-16-14(11)17-12/h4-8H,1-3H3,(H,16,17)
InChIKeyHFZKSKRXGCRCKY-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66887044
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Frequently Asked Questions

What is the IUPAC name of 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 15301085) is 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one is Cc1cc2c(cc1C)N(C)C(=O)c1cccnc1N2.
What is the InChIKey of 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is HFZKSKRXGCRCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9-7-12-13(8-10(9)2)18(3)15(19)11-5-4-6-16-14(11)17-12/h4-8H,1-3H3,(H,16,17).
What are the key properties of 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 253.30 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,9-trimethyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 15301085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).