7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

C24H23N3O3 — CID 70932855

IUPAC7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2C
InChIInChI=1S/C24H23N3O3/c1-15-4-7-18(14-25-15)17-8-5-16(6-9-17)12-21-24(29)27(2)22-11-10-19(30-3)13-20(22)23(28)26-21/h4-11,13-14,21H,12H2,1-3H3,(H,26,28)
InChIKeyDKGMGCLJJLBBTQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.38
Rot. Bonds4

About 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione

7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (PubChem CID 70932855) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
PubChem CID70932855
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
SMILESCOc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2C
InChIInChI=1S/C24H23N3O3/c1-15-4-7-18(14-25-15)17-8-5-16(6-9-17)12-21-24(29)27(2)22-11-10-19(30-3)13-20(22)23(28)26-21/h4-11,13-14,21H,12H2,1-3H3,(H,26,28)
InChIKeyDKGMGCLJJLBBTQ-UHFFFAOYSA-N
XLogP3.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione (CID 70932855) is 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is COc1ccc2c(c1)C(=O)NC(Cc1ccc(-c3ccc(C)nc3)cc1)C(=O)N2C.
What is the InChIKey of 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
The InChIKey is DKGMGCLJJLBBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-4-7-18(14-25-15)17-8-5-16(6-9-17)12-21-24(29)27(2)22-11-10-19(30-3)13-20(22)23(28)26-21/h4-11,13-14,21H,12H2,1-3H3,(H,26,28).
What are the key properties of 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione?
7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione has a molecular weight of 401.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-3-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 70932855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).