1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea

C15H19N5O3 — CID 162653472

IUPAC1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESO=C(NCCO)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O3/c21-8-5-16-15(22)19-14-17-12-4-2-1-3-11(12)13(18-14)20-6-9-23-10-7-20/h1-4,21H,5-10H2,(H2,16,17,18,19,22)
InChIKeyJHIFDUYSGVHVCI-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.58
Rot. Bonds4

About 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea

1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea (PubChem CID 162653472) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
PubChem CID162653472
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESO=C(NCCO)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C15H19N5O3/c21-8-5-16-15(22)19-14-17-12-4-2-1-3-11(12)13(18-14)20-6-9-23-10-7-20/h1-4,21H,5-10H2,(H2,16,17,18,19,22)
InChIKeyJHIFDUYSGVHVCI-UHFFFAOYSA-N
XLogP0.58
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea (CID 162653472) is 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea is O=C(NCCO)Nc1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The InChIKey is JHIFDUYSGVHVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c21-8-5-16-15(22)19-14-17-12-4-2-1-3-11(12)13(18-14)20-6-9-23-10-7-20/h1-4,21H,5-10H2,(H2,16,17,18,19,22).
What are the key properties of 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea has a molecular weight of 317.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea is sourced from PubChem (CID 162653472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).