1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione

C14H14N2O2 — CID 10444409

IUPAC1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione
SMILESCN1CC2=C(C(=O)c3ccccc3C2=O)N(C)C1
InChIInChI=1S/C14H14N2O2/c1-15-7-11-12(16(2)8-15)14(18)10-6-4-3-5-9(10)13(11)17/h3-6H,7-8H2,1-2H3
InChIKeyLVMXFKKNJBFURU-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.15
Rot. Bonds

About 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione

1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione (PubChem CID 10444409) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione
PubChem CID10444409
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione
SMILESCN1CC2=C(C(=O)c3ccccc3C2=O)N(C)C1
InChIInChI=1S/C14H14N2O2/c1-15-7-11-12(16(2)8-15)14(18)10-6-4-3-5-9(10)13(11)17/h3-6H,7-8H2,1-2H3
InChIKeyLVMXFKKNJBFURU-UHFFFAOYSA-N
XLogP1.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 16870
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CID 21448
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CID 4616045
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CID 26687
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CID 419648
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CID 71718847
CID 71718847
CID 780044
CID 780044
CID 5238464
CID 5238464
CID 134130715
CID 134130715
CID 2854727
CID 2854727
CID 10082533
CID 10082533
CID 10753693
CID 10753693

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione?
The IUPAC name of 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione (CID 10444409) is 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione.
What is the SMILES notation for 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione?
The canonical SMILES for 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione is CN1CC2=C(C(=O)c3ccccc3C2=O)N(C)C1.
What is the InChIKey of 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione?
The InChIKey is LVMXFKKNJBFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-15-7-11-12(16(2)8-15)14(18)10-6-4-3-5-9(10)13(11)17/h3-6H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione?
1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione has a molecular weight of 242.28 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dihydrobenzo[g]quinazoline-5,10-dione is sourced from PubChem (CID 10444409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).