1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea

C18H17ClN4O — CID 108885483

IUPAC1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C18H17ClN4O/c1-11-12(2)22-17-9-15(7-8-16(17)21-11)23-18(24)20-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H2,20,23,24)
InChIKeyJYIXLCLBWQVGRN-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.22
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea

1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (PubChem CID 108885483) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
PubChem CID108885483
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C18H17ClN4O/c1-11-12(2)22-17-9-15(7-8-16(17)21-11)23-18(24)20-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H2,20,23,24)
InChIKeyJYIXLCLBWQVGRN-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885740
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-(1,2,3-benzothiadiazol-5-yl)-3-[(4-chlorophenyl)methyl]urea
CID 23604373
N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
1-(4-chlorophenyl)-3-[(3-methylphenyl)methyl]urea
CID 47159445
1-(4-amino-3-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108899226
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7716680
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885476

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (CID 108885483) is 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is Cc1nc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc2nc1C.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The InChIKey is JYIXLCLBWQVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-12(2)22-17-9-15(7-8-16(17)21-11)23-18(24)20-10-13-3-5-14(19)6-4-13/h3-9H,10H2,1-2H3,(H2,20,23,24).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea has a molecular weight of 340.81 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is sourced from PubChem (CID 108885483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).