1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea

C14H10ClN5O — CID 24859295

IUPAC1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C14H10ClN5O/c15-10-3-1-2-9-11(4-5-18-13(9)10)19-14(21)20-12-8-16-6-7-17-12/h1-8H,(H2,17,18,19,20,21)
InChIKeyVPROKVGTAVZDEA-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.32
Rot. Bonds2

About 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea

1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea (PubChem CID 24859295) has the molecular formula C14H10ClN5O and a molecular weight of 299.72 g/mol. Its IUPAC name is 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea.

Molecular Properties

Compound Name1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
PubChem CID24859295
Molecular FormulaC14H10ClN5O
Molecular Weight299.72 g/mol
Exact Mass299.06
IUPAC Name1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea
SMILESO=C(Nc1cnccn1)Nc1ccnc2c(Cl)cccc12
InChIInChI=1S/C14H10ClN5O/c15-10-3-1-2-9-11(4-5-18-13(9)10)19-14(21)20-12-8-16-6-7-17-12/h1-8H,(H2,17,18,19,20,21)
InChIKeyVPROKVGTAVZDEA-UHFFFAOYSA-N
XLogP3.32
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea?
The IUPAC name of 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea (CID 24859295) is 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea.
What is the SMILES notation for 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea?
The canonical SMILES for 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea is O=C(Nc1cnccn1)Nc1ccnc2c(Cl)cccc12.
What is the InChIKey of 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea?
The InChIKey is VPROKVGTAVZDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5O/c15-10-3-1-2-9-11(4-5-18-13(9)10)19-14(21)20-12-8-16-6-7-17-12/h1-8H,(H2,17,18,19,20,21).
What are the key properties of 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea?
1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea has a molecular weight of 299.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-4-yl)-3-pyrazin-2-ylurea is sourced from PubChem (CID 24859295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).