1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea

C23H16BrClN4O2 — CID 22305706

IUPAC1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea
SMILESNC(=O)N(NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H16BrClN4O2/c24-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)27-21)22(30)28-29(23(26)31)17-11-9-16(25)10-12-17/h1-13H,(H2,26,31)(H,28,30)
InChIKeyBJVHYSYJBWKHQR-UHFFFAOYSA-N
MW495.76 g/mol
LogP5.55
Rot. Bonds3

About 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea

1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea (PubChem CID 22305706) has the molecular formula C23H16BrClN4O2 and a molecular weight of 495.76 g/mol. Its IUPAC name is 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea
PubChem CID22305706
Molecular FormulaC23H16BrClN4O2
Molecular Weight495.76 g/mol
Exact Mass494.01
IUPAC Name1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea
SMILESNC(=O)N(NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C23H16BrClN4O2/c24-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)27-21)22(30)28-29(23(26)31)17-11-9-16(25)10-12-17/h1-13H,(H2,26,31)(H,28,30)
InChIKeyBJVHYSYJBWKHQR-UHFFFAOYSA-N
XLogP5.55
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.76
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148817
1-[[2-(4-tert-butylphenyl)quinoline-4-carbonyl]amino]-1-(3-chlorophenyl)urea
CID 22305853
1-(3-chlorophenyl)-1-[[2-(4-propan-2-ylphenyl)quinoline-4-carbonyl]amino]urea
CID 22305855
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341
1-(3-chlorophenyl)-1-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]urea
CID 22305850
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(4-carbamoylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 1222709
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-(4-chlorophenyl)-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 2165659
2-(4-bromophenyl)-N-(diaminomethylidene)quinoline-4-carboxamide
CID 19955905

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea?
The IUPAC name of 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea (CID 22305706) is 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea?
The canonical SMILES for 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea is NC(=O)N(NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea?
The InChIKey is BJVHYSYJBWKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrClN4O2/c24-15-7-5-14(6-8-15)21-13-19(18-3-1-2-4-20(18)27-21)22(30)28-29(23(26)31)17-11-9-16(25)10-12-17/h1-13H,(H2,26,31)(H,28,30).
What are the key properties of 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea?
1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea has a molecular weight of 495.76 g/mol, XLogP of 5.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-bromophenyl)quinoline-4-carbonyl]amino]-1-(4-chlorophenyl)urea is sourced from PubChem (CID 22305706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).