1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea

C19H21N5O — CID 10640536

IUPAC1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea
SMILESCCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyOACDZTWEJRHLMO-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea

1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea (PubChem CID 10640536) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea
PubChem CID10640536
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea
SMILESCCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25)
InChIKeyOACDZTWEJRHLMO-UHFFFAOYSA-N
XLogP4.12
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea?
The IUPAC name of 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea (CID 10640536) is 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea is CCN(CC)c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea?
The InChIKey is OACDZTWEJRHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-24(4-2)18-21-16-13-9-8-12-15(16)17(22-18)23-19(25)20-14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3,(H2,20,21,22,23,25).
What are the key properties of 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea?
1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea has a molecular weight of 335.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)quinazolin-4-yl]-3-phenylurea is sourced from PubChem (CID 10640536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).