1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea

C18H18N4O — CID 2824465

IUPAC1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea
SMILESCN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-22(2)17-12-16(14-10-6-7-11-15(14)20-17)21-18(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,20,21,23)
InChIKeyNWXPPEZYAMLJBW-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.94
Rot. Bonds3

About 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea

1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea (PubChem CID 2824465) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea
PubChem CID2824465
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea
SMILESCN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-22(2)17-12-16(14-10-6-7-11-15(14)20-17)21-18(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,20,21,23)
InChIKeyNWXPPEZYAMLJBW-UHFFFAOYSA-N
XLogP3.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea?
The IUPAC name of 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea (CID 2824465) is 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea is CN(C)c1cc(NC(=O)Nc2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea?
The InChIKey is NWXPPEZYAMLJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22(2)17-12-16(14-10-6-7-11-15(14)20-17)21-18(23)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H2,19,20,21,23).
What are the key properties of 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea?
1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea has a molecular weight of 306.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)quinolin-4-yl]-3-phenylurea is sourced from PubChem (CID 2824465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).