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

C14H17N5O2 — CID 162658341

IUPAC1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H17N5O2/c1-15-14(20)18-13-16-11-5-3-2-4-10(11)12(17-13)19-6-8-21-9-7-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18,20)
InChIKeyFNADWWNEWHGSQV-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.22
Rot. Bonds2

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

1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea (PubChem CID 162658341) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea
PubChem CID162658341
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C14H17N5O2/c1-15-14(20)18-13-16-11-5-3-2-4-10(11)12(17-13)19-6-8-21-9-7-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18,20)
InChIKeyFNADWWNEWHGSQV-UHFFFAOYSA-N
XLogP1.22
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The IUPAC name of 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea (CID 162658341) is 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The canonical SMILES for 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea is CNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The InChIKey is FNADWWNEWHGSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-15-14(20)18-13-16-11-5-3-2-4-10(11)12(17-13)19-6-8-21-9-7-19/h2-5H,6-9H2,1H3,(H2,15,16,17,18,20).
What are the key properties of 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea has a molecular weight of 287.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-morpholin-4-ylquinazolin-2-yl)urea is sourced from PubChem (CID 162658341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).