1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea

C25H25N5O3 — CID 45137538

IUPAC1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C25H25N5O3/c1-32-22-14-20-21(15-23(22)33-2)27-16-28-24(20)26-13-12-17-8-10-19(11-9-17)30-25(31)29-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,26,27,28)(H2,29,30,31)
InChIKeyAJMTUUMTBJOKEW-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.95
Rot. Bonds8

About 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea

1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea (PubChem CID 45137538) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea
PubChem CID45137538
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea
SMILESCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C25H25N5O3/c1-32-22-14-20-21(15-23(22)33-2)27-16-28-24(20)26-13-12-17-8-10-19(11-9-17)30-25(31)29-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,26,27,28)(H2,29,30,31)
InChIKeyAJMTUUMTBJOKEW-UHFFFAOYSA-N
XLogP4.95
TPSA97.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea 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-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea (CID 45137538) is 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea is COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC.
What is the InChIKey of 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
The InChIKey is AJMTUUMTBJOKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-32-22-14-20-21(15-23(22)33-2)27-16-28-24(20)26-13-12-17-8-10-19(11-9-17)30-25(31)29-18-6-4-3-5-7-18/h3-11,14-16H,12-13H2,1-2H3,(H,26,27,28)(H2,29,30,31).
What are the key properties of 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea?
1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea has a molecular weight of 443.51 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(6,7-dimethoxyquinazolin-4-yl)amino]ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 45137538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).