1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea

C25H25N5O5 — CID 134145310

IUPAC1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c(Nc4cc(OC)cc(OC)c4)ncnc23)cc(OC)c1
InChIInChI=1S/C25H25N5O5/c1-32-17-8-15(9-18(12-17)33-2)28-24-21-6-5-7-22(23(21)26-14-27-24)30-25(31)29-16-10-19(34-3)13-20(11-16)35-4/h5-14H,1-4H3,(H,26,27,28)(H2,29,30,31)
InChIKeyXVTYWZAHPQWZQR-UHFFFAOYSA-N
MW475.51 g/mol
LogP5.05
Rot. Bonds8

About 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea

1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 134145310) has the molecular formula C25H25N5O5 and a molecular weight of 475.51 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea
PubChem CID134145310
Molecular FormulaC25H25N5O5
Molecular Weight475.51 g/mol
Exact Mass475.19
IUPAC Name1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc3c(Nc4cc(OC)cc(OC)c4)ncnc23)cc(OC)c1
InChIInChI=1S/C25H25N5O5/c1-32-17-8-15(9-18(12-17)33-2)28-24-21-6-5-7-22(23(21)26-14-27-24)30-25(31)29-16-10-19(34-3)13-20(11-16)35-4/h5-14H,1-4H3,(H,26,27,28)(H2,29,30,31)
InChIKeyXVTYWZAHPQWZQR-UHFFFAOYSA-N
XLogP5.05
TPSA115.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.51
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea (CID 134145310) is 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cccc3c(Nc4cc(OC)cc(OC)c4)ncnc23)cc(OC)c1.
What is the InChIKey of 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is XVTYWZAHPQWZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O5/c1-32-17-8-15(9-18(12-17)33-2)28-24-21-6-5-7-22(23(21)26-14-27-24)30-25(31)29-16-10-19(34-3)13-20(11-16)35-4/h5-14H,1-4H3,(H,26,27,28)(H2,29,30,31).
What are the key properties of 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea?
1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 475.51 g/mol, XLogP of 5.05, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethoxyanilino)quinazolin-8-yl]-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 134145310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).