1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

C18H19BrFN3O — CID 22430434

IUPAC1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCCc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFN3O/c19-14-7-8-16(15(20)12-14)22-18(24)21-9-11-23-10-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,12H,3,5,9-11H2,(H2,21,22,24)
InChIKeyRUJQVMIRSVWGQW-UHFFFAOYSA-N
MW392.27 g/mol
LogP4.16
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (PubChem CID 22430434) has the molecular formula C18H19BrFN3O and a molecular weight of 392.27 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
PubChem CID22430434
Molecular FormulaC18H19BrFN3O
Molecular Weight392.27 g/mol
Exact Mass391.07
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCCc2ccccc21)Nc1ccc(Br)cc1F
InChIInChI=1S/C18H19BrFN3O/c19-14-7-8-16(15(20)12-14)22-18(24)21-9-11-23-10-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,12H,3,5,9-11H2,(H2,21,22,24)
InChIKeyRUJQVMIRSVWGQW-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.27
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 9842609
6-Bromo-3-methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 2927305
1-(3-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3498030
1-(4-Bromophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 3713930
1-(2-Bromophenyl)-3-{2-[ethyl(2-methylphenyl)amino]ethyl}urea
CID 24768237
1-(2-Bromophenyl)-3-{2-[ethyl(4-methylphenyl)amino]ethyl}urea
CID 24768238
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphenyl)amino]ethyl}urea
CID 24768241
urea TRPV1 antagonist, 21
CID 24768243
N-(4-bromophenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 4508010
1-(2-bromophenyl)-3-[2-(2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10126139
3-(2-Bromophenyl)-1-[2-(6-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethyl]urea
CID 10150598
1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10215835

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (CID 22430434) is 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is O=C(NCCN1CCCc2ccccc21)Nc1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The InChIKey is RUJQVMIRSVWGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN3O/c19-14-7-8-16(15(20)12-14)22-18(24)21-9-11-23-10-3-5-13-4-1-2-6-17(13)23/h1-2,4,6-8,12H,3,5,9-11H2,(H2,21,22,24).
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea has a molecular weight of 392.27 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is sourced from PubChem (CID 22430434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).