1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea

C16H11Cl2N3O — CID 2239305

IUPAC1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H11Cl2N3O/c17-13-6-5-11(8-14(13)18)20-16(22)21-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H2,20,21,22)
InChIKeyOYDJTCXSXYTRLW-UHFFFAOYSA-N
MW332.19 g/mol
LogP5.19
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea

1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea (PubChem CID 2239305) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
PubChem CID2239305
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc2ccccc2c1
InChIInChI=1S/C16H11Cl2N3O/c17-13-6-5-11(8-14(13)18)20-16(22)21-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H2,20,21,22)
InChIKeyOYDJTCXSXYTRLW-UHFFFAOYSA-N
XLogP5.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
2-chloro-N-(quinolin-3-ylcarbamoyl)acetamide
CID 62806519
1-(3,5-dimethoxyphenyl)-3-quinolin-3-ylurea
CID 16645779
6-amino-3-chloro-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805982
1-quinolin-3-yl-3-(1,3-thiazol-2-yl)urea
CID 47149919
1-quinolin-3-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 16645769
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
methyl N-quinolin-3-ylcarbamate
CID 19697860
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
3-chloro-N-quinolin-3-ylbenzamide
CID 3284385
(2R)-2-(quinolin-3-ylcarbamoylamino)propanoic acid
CID 78917504
6-chloro-N-quinolin-3-ylpyridine-3-carboxamide
CID 29330391

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea (CID 2239305) is 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cnc2ccccc2c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea?
The InChIKey is OYDJTCXSXYTRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-13-6-5-11(8-14(13)18)20-16(22)21-12-7-10-3-1-2-4-15(10)19-9-12/h1-9H,(H2,20,21,22).
What are the key properties of 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea?
1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea has a molecular weight of 332.19 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-quinolin-3-ylurea is sourced from PubChem (CID 2239305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).