1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione

C19H17N3O3 — CID 118141567

IUPAC1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C19H17N3O3/c1-25-13-8-6-12(7-9-13)11-22-16(23)10-20-19(24)17-18(22)14-4-2-3-5-15(14)21-17/h2-9,21H,10-11H2,1H3,(H,20,24)
InChIKeyAMPLTDIBAIFHMP-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.45
Rot. Bonds3

About 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione

1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione (PubChem CID 118141567) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
PubChem CID118141567
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione
SMILESCOc1ccc(CN2C(=O)CNC(=O)c3[nH]c4ccccc4c32)cc1
InChIInChI=1S/C19H17N3O3/c1-25-13-8-6-12(7-9-13)11-22-16(23)10-20-19(24)17-18(22)14-4-2-3-5-15(14)21-17/h2-9,21H,10-11H2,1H3,(H,20,24)
InChIKeyAMPLTDIBAIFHMP-UHFFFAOYSA-N
XLogP2.45
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 3345025
7-bromo-1-[(4-methoxyphenyl)methyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183642
(8S)-6-[(4-methoxyphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 7003509
1-[(4-methoxyphenyl)methyl]-7-methyl-3H-indol-2-one
CID 102315003
9-bromo-5-[(4-methoxyphenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
CID 44818605
1-[(4-methoxyphenyl)methyl]-7-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 71183089
(6Z)-6-[(4-methoxy-3-methylphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]piperazine-2,5-dione
CID 10090308
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431724
lithium;alumane;hydride;14-hydroxy-13-[(4-methoxyphenyl)methyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one;13-[(4-methoxyphenyl)methyl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 161439921
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
2,4-dihydro-1H-pyrrolo[3,4-b]quinoline-3,9-dione
CID 100919920

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione (CID 118141567) is 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione is COc1ccc(CN2C(=O)CNC(=O)c3[nH]c4ccccc4c32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione?
The InChIKey is AMPLTDIBAIFHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-25-13-8-6-12(7-9-13)11-22-16(23)10-20-19(24)17-18(22)14-4-2-3-5-15(14)21-17/h2-9,21H,10-11H2,1H3,(H,20,24).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione?
1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione has a molecular weight of 335.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-4,6-dihydro-3H-[1,4]diazepino[6,5-b]indole-2,5-dione is sourced from PubChem (CID 118141567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).