1-phenyl-3-quinolin-6-ylurea

C16H13N3O — CID 2823321

IUPAC1-phenyl-3-quinolin-6-ylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C16H13N3O/c20-16(18-13-6-2-1-3-7-13)19-14-8-9-15-12(11-14)5-4-10-17-15/h1-11H,(H2,18,19,20)
InChIKeyJZNREJCVLZNWHA-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.88
Rot. Bonds2

About 1-phenyl-3-quinolin-6-ylurea

1-phenyl-3-quinolin-6-ylurea (PubChem CID 2823321) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-phenyl-3-quinolin-6-ylurea.

Molecular Properties

Compound Name1-phenyl-3-quinolin-6-ylurea
PubChem CID2823321
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-phenyl-3-quinolin-6-ylurea
SMILESO=C(Nc1ccccc1)Nc1ccc2ncccc2c1
InChIInChI=1S/C16H13N3O/c20-16(18-13-6-2-1-3-7-13)19-14-8-9-15-12(11-14)5-4-10-17-15/h1-11H,(H2,18,19,20)
InChIKeyJZNREJCVLZNWHA-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-quinolin-6-ylurea?
The IUPAC name of 1-phenyl-3-quinolin-6-ylurea (CID 2823321) is 1-phenyl-3-quinolin-6-ylurea.
What is the SMILES notation for 1-phenyl-3-quinolin-6-ylurea?
The canonical SMILES for 1-phenyl-3-quinolin-6-ylurea is O=C(Nc1ccccc1)Nc1ccc2ncccc2c1.
What is the InChIKey of 1-phenyl-3-quinolin-6-ylurea?
The InChIKey is JZNREJCVLZNWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(18-13-6-2-1-3-7-13)19-14-8-9-15-12(11-14)5-4-10-17-15/h1-11H,(H2,18,19,20).
What are the key properties of 1-phenyl-3-quinolin-6-ylurea?
1-phenyl-3-quinolin-6-ylurea has a molecular weight of 263.30 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-quinolin-6-ylurea is sourced from PubChem (CID 2823321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).