1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione

C21H22N2O3 — CID 159418838

IUPAC1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione
SMILESCC(C)CC1C2=C(Cc3c1c(=O)n(C)c(=O)n3C)c1ccccc1C2=O
InChIInChI=1S/C21H22N2O3/c1-11(2)9-15-17-14(12-7-5-6-8-13(12)19(17)24)10-16-18(15)20(25)23(4)21(26)22(16)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyIQHXGQAPDZZECX-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.42
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione

1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione (PubChem CID 159418838) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione
PubChem CID159418838
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione
SMILESCC(C)CC1C2=C(Cc3c1c(=O)n(C)c(=O)n3C)c1ccccc1C2=O
InChIInChI=1S/C21H22N2O3/c1-11(2)9-15-17-14(12-7-5-6-8-13(12)19(17)24)10-16-18(15)20(25)23(4)21(26)22(16)3/h5-8,11,15H,9-10H2,1-4H3
InChIKeyIQHXGQAPDZZECX-UHFFFAOYSA-N
XLogP2.42
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

acetic acid;6-amino-1,3-dimethylpyrimidine-2,4-dione;2,1,3-benzothiadiazole-5-carbaldehyde;5-(2,1,3-benzothiadiazol-5-yl)-1,3-dimethyl-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione;indene-1,3-dione
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CID 1129347
2-(2,1,3-benzothiadiazol-5-yl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione (CID 159418838) is 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione is CC(C)CC1C2=C(Cc3c1c(=O)n(C)c(=O)n3C)c1ccccc1C2=O.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione?
The InChIKey is IQHXGQAPDZZECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-11(2)9-15-17-14(12-7-5-6-8-13(12)19(17)24)10-16-18(15)20(25)23(4)21(26)22(16)3/h5-8,11,15H,9-10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione?
1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione has a molecular weight of 350.42 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpropyl)-5,11-dihydroindeno[2,1-g]quinazoline-2,4,6-trione is sourced from PubChem (CID 159418838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).