(2-phenylquinolin-6-yl)urea

C16H13N3O — CID 54532809

IUPAC(2-phenylquinolin-6-yl)urea
SMILESNC(=O)Nc1ccc2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C16H13N3O/c17-16(20)18-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18,20)
InChIKeyYXSDCQQTFSURTO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.39
Rot. Bonds2

About (2-phenylquinolin-6-yl)urea

(2-phenylquinolin-6-yl)urea (PubChem CID 54532809) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (2-phenylquinolin-6-yl)urea.

Molecular Properties

Compound Name(2-phenylquinolin-6-yl)urea
PubChem CID54532809
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(2-phenylquinolin-6-yl)urea
SMILESNC(=O)Nc1ccc2nc(-c3ccccc3)ccc2c1
InChIInChI=1S/C16H13N3O/c17-16(20)18-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18,20)
InChIKeyYXSDCQQTFSURTO-UHFFFAOYSA-N
XLogP3.39
TPSA68.01 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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 36823885
N-[2-(4-phenyl-1H-imidazol-5-yl)quinolin-6-yl]acetamide
CID 50976710
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
2-amino-3-(2-phenylquinolin-6-yl)propanoic acid
CID 90896454
N-methyl-2-phenylquinolin-7-amine
CID 142776720
2-phenyl-N-(3-quinolin-2-ylphenyl)acetamide
CID 46376277
3-quinolin-2-ylbenzohydrazide
CID 174752965
2-phenylbenzo[g]quinoline
CID 45113076
iridium;tris(2-phenylquinoline)
CID 122129463
phenylurea;thiourea
CID 160770333
6-ethynyl-2-phenylquinoline
CID 174753499
6-(4-fluorophenyl)-2-phenylquinoline
CID 122365285

Frequently Asked Questions

What is the IUPAC name of (2-phenylquinolin-6-yl)urea?
The IUPAC name of (2-phenylquinolin-6-yl)urea (CID 54532809) is (2-phenylquinolin-6-yl)urea.
What is the SMILES notation for (2-phenylquinolin-6-yl)urea?
The canonical SMILES for (2-phenylquinolin-6-yl)urea is NC(=O)Nc1ccc2nc(-c3ccccc3)ccc2c1.
What is the InChIKey of (2-phenylquinolin-6-yl)urea?
The InChIKey is YXSDCQQTFSURTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16(20)18-13-7-9-15-12(10-13)6-8-14(19-15)11-4-2-1-3-5-11/h1-10H,(H3,17,18,20).
What are the key properties of (2-phenylquinolin-6-yl)urea?
(2-phenylquinolin-6-yl)urea has a molecular weight of 263.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylquinolin-6-yl)urea is sourced from PubChem (CID 54532809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).