1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea

C28H24N4O4 — CID 56954622

IUPAC1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc5ccccc5c4)c(C)c3)c2cc1OC
InChIInChI=1S/C28H24N4O4/c1-17-12-21(36-27-22-14-25(34-2)26(35-3)15-24(22)29-16-30-27)10-11-23(17)32-28(33)31-20-9-8-18-6-4-5-7-19(18)13-20/h4-16H,1-3H3,(H2,31,32,33)
InChIKeyOORYJASUHYXOOK-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.54
Rot. Bonds6

About 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea (PubChem CID 56954622) has the molecular formula C28H24N4O4 and a molecular weight of 480.52 g/mol. Its IUPAC name is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea
PubChem CID56954622
Molecular FormulaC28H24N4O4
Molecular Weight480.52 g/mol
Exact Mass480.18
IUPAC Name1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea
SMILESCOc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc5ccccc5c4)c(C)c3)c2cc1OC
InChIInChI=1S/C28H24N4O4/c1-17-12-21(36-27-22-14-25(34-2)26(35-3)15-24(22)29-16-30-27)10-11-23(17)32-28(33)31-20-9-8-18-6-4-5-7-19(18)13-20/h4-16H,1-3H3,(H2,31,32,33)
InChIKeyOORYJASUHYXOOK-UHFFFAOYSA-N
XLogP6.54
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea?
The IUPAC name of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea (CID 56954622) is 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea?
The canonical SMILES for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea is COc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc5ccccc5c4)c(C)c3)c2cc1OC.
What is the InChIKey of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea?
The InChIKey is OORYJASUHYXOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4/c1-17-12-21(36-27-22-14-25(34-2)26(35-3)15-24(22)29-16-30-27)10-11-23(17)32-28(33)31-20-9-8-18-6-4-5-7-19(18)13-20/h4-16H,1-3H3,(H2,31,32,33).
What are the key properties of 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea?
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea has a molecular weight of 480.52 g/mol, XLogP of 6.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 56954622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).