1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea

C23H17F2N3O — CID 10045848

IUPAC1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
SMILESCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1
InChIInChI=1S/C23H17F2N3O/c1-14-7-9-19-17(11-14)22(15-5-3-2-4-6-15)21(13-26-19)28-23(29)27-20-10-8-16(24)12-18(20)25/h2-13H,1H3,(H2,27,28,29)
InChIKeyKVGBLSFAMQTAAS-UHFFFAOYSA-N
MW389.41 g/mol
LogP6.13
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea

1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea (PubChem CID 10045848) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
PubChem CID10045848
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea
SMILESCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1
InChIInChI=1S/C23H17F2N3O/c1-14-7-9-19-17(11-14)22(15-5-3-2-4-6-15)21(13-26-19)28-23(29)27-20-10-8-16(24)12-18(20)25/h2-13H,1H3,(H2,27,28,29)
InChIKeyKVGBLSFAMQTAAS-UHFFFAOYSA-N
XLogP6.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea (CID 10045848) is 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea is Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3)c2c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea?
The InChIKey is KVGBLSFAMQTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c1-14-7-9-19-17(11-14)22(15-5-3-2-4-6-15)21(13-26-19)28-23(29)27-20-10-8-16(24)12-18(20)25/h2-13H,1H3,(H2,27,28,29).
What are the key properties of 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea?
1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea has a molecular weight of 389.41 g/mol, XLogP of 6.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(6-methyl-4-phenylquinolin-3-yl)urea is sourced from PubChem (CID 10045848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).