1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea

C24H24N6O2 — CID 155206352

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1
InChIInChI=1S/C24H24N6O2/c1-16-4-5-17(13-25-16)14-26-24(31)29-18-6-9-20(10-7-18)32-23-21-11-8-19(30(2)3)12-22(21)27-15-28-23/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
InChIKeyCVAQBRNPLXZEND-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.51
Rot. Bonds6

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea (PubChem CID 155206352) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
PubChem CID155206352
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1
InChIInChI=1S/C24H24N6O2/c1-16-4-5-17(13-25-16)14-26-24(31)29-18-6-9-20(10-7-18)32-23-21-11-8-19(30(2)3)12-22(21)27-15-28-23/h4-13,15H,14H2,1-3H3,(H2,26,29,31)
InChIKeyCVAQBRNPLXZEND-UHFFFAOYSA-N
XLogP4.51
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea (CID 155206352) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea is Cc1ccc(CNC(=O)Nc2ccc(Oc3ncnc4cc(N(C)C)ccc34)cc2)cn1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
The InChIKey is CVAQBRNPLXZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-4-5-17(13-25-16)14-26-24(31)29-18-6-9-20(10-7-18)32-23-21-11-8-19(30(2)3)12-22(21)27-15-28-23/h4-13,15H,14H2,1-3H3,(H2,26,29,31).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea has a molecular weight of 428.50 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[(6-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 155206352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).