1-pyrazin-2-yl-3-quinolin-4-ylurea

C14H11N5O — CID 24772168

IUPAC1-pyrazin-2-yl-3-quinolin-4-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccccc12
InChIInChI=1S/C14H11N5O/c20-14(19-13-9-15-7-8-17-13)18-12-5-6-16-11-4-2-1-3-10(11)12/h1-9H,(H2,16,17,18,19,20)
InChIKeyLNIDFQVRZCDVBI-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.67
Rot. Bonds2

About 1-pyrazin-2-yl-3-quinolin-4-ylurea

1-pyrazin-2-yl-3-quinolin-4-ylurea (PubChem CID 24772168) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-pyrazin-2-yl-3-quinolin-4-ylurea.

Molecular Properties

Compound Name1-pyrazin-2-yl-3-quinolin-4-ylurea
PubChem CID24772168
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name1-pyrazin-2-yl-3-quinolin-4-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccnc2ccccc12
InChIInChI=1S/C14H11N5O/c20-14(19-13-9-15-7-8-17-13)18-12-5-6-16-11-4-2-1-3-10(11)12/h1-9H,(H2,16,17,18,19,20)
InChIKeyLNIDFQVRZCDVBI-UHFFFAOYSA-N
XLogP2.67
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-3-quinolin-4-ylurea?
The IUPAC name of 1-pyrazin-2-yl-3-quinolin-4-ylurea (CID 24772168) is 1-pyrazin-2-yl-3-quinolin-4-ylurea.
What is the SMILES notation for 1-pyrazin-2-yl-3-quinolin-4-ylurea?
The canonical SMILES for 1-pyrazin-2-yl-3-quinolin-4-ylurea is O=C(Nc1cnccn1)Nc1ccnc2ccccc12.
What is the InChIKey of 1-pyrazin-2-yl-3-quinolin-4-ylurea?
The InChIKey is LNIDFQVRZCDVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c20-14(19-13-9-15-7-8-17-13)18-12-5-6-16-11-4-2-1-3-10(11)12/h1-9H,(H2,16,17,18,19,20).
What are the key properties of 1-pyrazin-2-yl-3-quinolin-4-ylurea?
1-pyrazin-2-yl-3-quinolin-4-ylurea has a molecular weight of 265.28 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-3-quinolin-4-ylurea is sourced from PubChem (CID 24772168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).