4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

C15H16N2O3 — CID 4149175

IUPAC4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCOc1ccc(C2NC(=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C15H16N2O3/c1-20-10-7-5-9(6-8-10)14-13-11(16-15(19)17-14)3-2-4-12(13)18/h5-8,14H,2-4H2,1H3,(H2,16,17,19)
InChIKeySQKGAHBFUCLKFW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.06
Rot. Bonds2

About 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione

4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (PubChem CID 4149175) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
PubChem CID4149175
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
SMILESCOc1ccc(C2NC(=O)NC3=C2C(=O)CCC3)cc1
InChIInChI=1S/C15H16N2O3/c1-20-10-7-5-9(6-8-10)14-13-11(16-15(19)17-14)3-2-4-12(13)18/h5-8,14H,2-4H2,1H3,(H2,16,17,19)
InChIKeySQKGAHBFUCLKFW-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione (CID 4149175) is 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is COc1ccc(C2NC(=O)NC3=C2C(=O)CCC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
The InChIKey is SQKGAHBFUCLKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-10-7-5-9(6-8-10)14-13-11(16-15(19)17-14)3-2-4-12(13)18/h5-8,14H,2-4H2,1H3,(H2,16,17,19).
What are the key properties of 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione?
4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione has a molecular weight of 272.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione is sourced from PubChem (CID 4149175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).