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

C19H19ClN4O — CID 108885740

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCCc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C19H19ClN4O/c1-12-13(2)23-18-11-16(6-7-17(18)22-12)24-19(25)21-9-8-14-4-3-5-15(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H2,21,24,25)
InChIKeyLCBUOJUPVRFDEL-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.26
Rot. Bonds4

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

1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (PubChem CID 108885740) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
PubChem CID108885740
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
SMILESCc1nc2ccc(NC(=O)NCCc3cccc(Cl)c3)cc2nc1C
InChIInChI=1S/C19H19ClN4O/c1-12-13(2)23-18-11-16(6-7-17(18)22-12)24-19(25)21-9-8-14-4-3-5-15(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H2,21,24,25)
InChIKeyLCBUOJUPVRFDEL-UHFFFAOYSA-N
XLogP4.26
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
CID 86987908
6-[(2,3-dimethylquinoxalin-6-yl)carbamoylamino]hexanoic acid
CID 108885495
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108873490
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-(1,3-benzothiazol-2-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 41435752
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)thiourea
CID 19649987
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea (CID 108885740) is 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is Cc1nc2ccc(NC(=O)NCCc3cccc(Cl)c3)cc2nc1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
The InChIKey is LCBUOJUPVRFDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-12-13(2)23-18-11-16(6-7-17(18)22-12)24-19(25)21-9-8-14-4-3-5-15(20)10-14/h3-7,10-11H,8-9H2,1-2H3,(H2,21,24,25).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea?
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea has a molecular weight of 354.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea is sourced from PubChem (CID 108885740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).