1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea

C22H23N7O2 — CID 155206604

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccn(C)n4)cc3)ncnc2c1
InChIInChI=1S/C22H23N7O2/c1-28(2)17-6-9-19-20(12-17)24-14-25-21(19)31-18-7-4-15(5-8-18)26-22(30)23-13-16-10-11-29(3)27-16/h4-12,14H,13H2,1-3H3,(H2,23,26,30)
InChIKeyYBJCLKLSVZHLQY-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.54
Rot. Bonds6

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea (PubChem CID 155206604) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
PubChem CID155206604
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccn(C)n4)cc3)ncnc2c1
InChIInChI=1S/C22H23N7O2/c1-28(2)17-6-9-19-20(12-17)24-14-25-21(19)31-18-7-4-15(5-8-18)26-22(30)23-13-16-10-11-29(3)27-16/h4-12,14H,13H2,1-3H3,(H2,23,26,30)
InChIKeyYBJCLKLSVZHLQY-UHFFFAOYSA-N
XLogP3.54
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]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-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea (CID 155206604) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCc4ccn(C)n4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea?
The InChIKey is YBJCLKLSVZHLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-28(2)17-6-9-19-20(12-17)24-14-25-21(19)31-18-7-4-15(5-8-18)26-22(30)23-13-16-10-11-29(3)27-16/h4-12,14H,13H2,1-3H3,(H2,23,26,30).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea has a molecular weight of 417.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(1-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 155206604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).