1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea

C15H10Cl2N4O3 — CID 10761314

IUPAC1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nn1c(=O)[nH]c2cc(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C15H10Cl2N4O3/c16-8-6-10(17)12-11(7-8)19-15(24)21(13(12)22)20-14(23)18-9-4-2-1-3-5-9/h1-7H,(H,19,24)(H2,18,20,23)
InChIKeyZIHCSKGJPGWGDX-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.77
Rot. Bonds2

About 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea

1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea (PubChem CID 10761314) has the molecular formula C15H10Cl2N4O3 and a molecular weight of 365.18 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea
PubChem CID10761314
Molecular FormulaC15H10Cl2N4O3
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nn1c(=O)[nH]c2cc(Cl)cc(Cl)c2c1=O
InChIInChI=1S/C15H10Cl2N4O3/c16-8-6-10(17)12-11(7-8)19-15(24)21(13(12)22)20-14(23)18-9-4-2-1-3-5-9/h1-7H,(H,19,24)(H2,18,20,23)
InChIKeyZIHCSKGJPGWGDX-UHFFFAOYSA-N
XLogP2.77
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea?
The IUPAC name of 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea (CID 10761314) is 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nn1c(=O)[nH]c2cc(Cl)cc(Cl)c2c1=O.
What is the InChIKey of 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea?
The InChIKey is ZIHCSKGJPGWGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O3/c16-8-6-10(17)12-11(7-8)19-15(24)21(13(12)22)20-14(23)18-9-4-2-1-3-5-9/h1-7H,(H,19,24)(H2,18,20,23).
What are the key properties of 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea?
1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea has a molecular weight of 365.18 g/mol, XLogP of 2.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2,4-dioxo-1H-quinazolin-3-yl)-3-phenylurea is sourced from PubChem (CID 10761314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).