1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione

C18H17N3O2 — CID 167776784

IUPAC1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(-c3ccc4c(c3)CCN4)cc2)C(=O)N1
InChIInChI=1S/C18H17N3O2/c22-17-8-10-21(18(23)20-17)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-9-19-16/h1-6,11,19H,7-10H2,(H,20,22,23)
InChIKeyBQWBNWQNBDXICX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.77
Rot. Bonds2

About 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione

1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 167776784) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID167776784
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(-c3ccc4c(c3)CCN4)cc2)C(=O)N1
InChIInChI=1S/C18H17N3O2/c22-17-8-10-21(18(23)20-17)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-9-19-16/h1-6,11,19H,7-10H2,(H,20,22,23)
InChIKeyBQWBNWQNBDXICX-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione (CID 167776784) is 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(-c3ccc4c(c3)CCN4)cc2)C(=O)N1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is BQWBNWQNBDXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-8-10-21(18(23)20-17)15-4-1-12(2-5-15)13-3-6-16-14(11-13)7-9-19-16/h1-6,11,19H,7-10H2,(H,20,22,23).
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione?
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 307.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167776784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).