1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione

C24H21ClN2O5 — CID 15989209

IUPAC1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
SMILESCOc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC
InChIInChI=1S/C24H21ClN2O5/c1-30-20-12-17(13-21(31-2)22(20)32-3)27-23(28)18-9-4-5-10-19(18)26(24(27)29)14-15-7-6-8-16(25)11-15/h4-13H,14H2,1-3H3
InChIKeySIAXOKUZWDYKDC-UHFFFAOYSA-N
MW452.89 g/mol
LogP3.88
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione

1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione (PubChem CID 15989209) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
PubChem CID15989209
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione
SMILESCOc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC
InChIInChI=1S/C24H21ClN2O5/c1-30-20-12-17(13-21(31-2)22(20)32-3)27-23(28)18-9-4-5-10-19(18)26(24(27)29)14-15-7-6-8-16(25)11-15/h4-13H,14H2,1-3H3
InChIKeySIAXOKUZWDYKDC-UHFFFAOYSA-N
XLogP3.88
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione (CID 15989209) is 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione is COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione?
The InChIKey is SIAXOKUZWDYKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-30-20-12-17(13-21(31-2)22(20)32-3)27-23(28)18-9-4-5-10-19(18)26(24(27)29)14-15-7-6-8-16(25)11-15/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione?
1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione has a molecular weight of 452.89 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 15989209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).