1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea

C17H14ClN3O — CID 70072831

IUPAC1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea
SMILESCc1cc(N(C(N)=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H14ClN3O/c1-11-10-16(14-4-2-3-5-15(14)20-11)21(17(19)22)13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,19,22)
InChIKeyXMNXDVRFAOWBTA-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.41
Rot. Bonds2

About 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea

1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea (PubChem CID 70072831) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea
PubChem CID70072831
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC Name1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea
SMILESCc1cc(N(C(N)=O)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C17H14ClN3O/c1-11-10-16(14-4-2-3-5-15(14)20-11)21(17(19)22)13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,19,22)
InChIKeyXMNXDVRFAOWBTA-UHFFFAOYSA-N
XLogP4.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea (CID 70072831) is 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea is Cc1cc(N(C(N)=O)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea?
The InChIKey is XMNXDVRFAOWBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c1-11-10-16(14-4-2-3-5-15(14)20-11)21(17(19)22)13-8-6-12(18)7-9-13/h2-10H,1H3,(H2,19,22).
What are the key properties of 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea?
1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea has a molecular weight of 311.77 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(2-methylquinolin-4-yl)urea is sourced from PubChem (CID 70072831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).