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

C18H17ClN4O — CID 2824466

IUPAC1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea
SMILESCN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H17ClN4O/c1-23(2)17-11-16(14-8-3-4-9-15(14)21-17)22-18(24)20-13-7-5-6-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,24)
InChIKeyVTAYTYHYHJAAJB-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.60
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea (PubChem CID 2824466) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea
PubChem CID2824466
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea
SMILESCN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C18H17ClN4O/c1-23(2)17-11-16(14-8-3-4-9-15(14)21-17)22-18(24)20-13-7-5-6-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,24)
InChIKeyVTAYTYHYHJAAJB-UHFFFAOYSA-N
XLogP4.60
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea (CID 2824466) is 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea is CN(C)c1cc(NC(=O)Nc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea?
The InChIKey is VTAYTYHYHJAAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-23(2)17-11-16(14-8-3-4-9-15(14)21-17)22-18(24)20-13-7-5-6-12(19)10-13/h3-11H,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea?
1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea has a molecular weight of 340.81 g/mol, XLogP of 4.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(dimethylamino)quinolin-4-yl]urea is sourced from PubChem (CID 2824466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).