4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

C19H24N2O4 — CID 3102210

IUPAC4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C19H24N2O4/c1-19(2)9-12-16(13(22)10-19)17(20-18(23)21(12)3)11-6-7-14(24-4)15(8-11)25-5/h6-8,17H,9-10H2,1-5H3,(H,20,23)
InChIKeyLYLUEUXBYYJESL-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.04
Rot. Bonds3

About 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione

4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (PubChem CID 3102210) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
PubChem CID3102210
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC
InChIInChI=1S/C19H24N2O4/c1-19(2)9-12-16(13(22)10-19)17(20-18(23)21(12)3)11-6-7-14(24-4)15(8-11)25-5/h6-8,17H,9-10H2,1-5H3,(H,20,23)
InChIKeyLYLUEUXBYYJESL-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione (CID 3102210) is 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is COc1ccc(C2NC(=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
The InChIKey is LYLUEUXBYYJESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-19(2)9-12-16(13(22)10-19)17(20-18(23)21(12)3)11-6-7-14(24-4)15(8-11)25-5/h6-8,17H,9-10H2,1-5H3,(H,20,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione?
4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione is sourced from PubChem (CID 3102210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).