1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea

C25H25N5O2 — CID 155206367

IUPAC1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C25H25N5O2/c1-30(2)20-10-13-22-23(16-20)27-17-28-24(22)32-21-11-8-19(9-12-21)29-25(31)26-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H2,26,29,31)
InChIKeyMKEYKLJJTYBXPA-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.85
Rot. Bonds7

About 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea

1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea (PubChem CID 155206367) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea
PubChem CID155206367
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea
SMILESCN(C)c1ccc2c(Oc3ccc(NC(=O)NCCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C25H25N5O2/c1-30(2)20-10-13-22-23(16-20)27-17-28-24(22)32-21-11-8-19(9-12-21)29-25(31)26-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H2,26,29,31)
InChIKeyMKEYKLJJTYBXPA-UHFFFAOYSA-N
XLogP4.85
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea with MolForge

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Related Compounds

Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
1-[4-[7-(Dimethylamino)quinazolin-4-yl]oxyphenyl]-3-[[6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 155195529
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
PDGF Receptor Tyrosine Kinase Inhibitor III
CID 10907042
1-[3-Methyl-4-({3-[2-(Methylamino)pyrimidin-4-Yl]pyridin-2-Yl}oxy)phenyl]-3-[3-(Trifluoromethyl)phenyl]urea
CID 25113168
1-[4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-(4-quinazolin-6-yloxyphenyl)urea
CID 134294508
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488
N-benzyl-5-methoxyquinazolin-4-amine
CID 5328026
N-(2-((dimethylamino)methyl)-4-(3-(piperidin-1-yl)propoxy)phenyl)quinazolin-4-amine
CID 23628252

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea (CID 155206367) is 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea is CN(C)c1ccc2c(Oc3ccc(NC(=O)NCCc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea?
The InChIKey is MKEYKLJJTYBXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-30(2)20-10-13-22-23(16-20)27-17-28-24(22)32-21-11-8-19(9-12-21)29-25(31)26-15-14-18-6-4-3-5-7-18/h3-13,16-17H,14-15H2,1-2H3,(H2,26,29,31).
What are the key properties of 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea?
1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea has a molecular weight of 427.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-(dimethylamino)quinazolin-4-yl]oxyphenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 155206367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).