1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

C19H22BrN3O — CID 10150598

IUPAC1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H22BrN3O/c1-14-8-9-18-15(13-14)5-4-11-23(18)12-10-21-19(24)22-17-7-3-2-6-16(17)20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H2,21,22,24)
InChIKeyWIBHDRWSMPUJHI-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.33
Rot. Bonds4

About 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea

1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (PubChem CID 10150598) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
PubChem CID10150598
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea
SMILESCc1ccc2c(c1)CCCN2CCNC(=O)Nc1ccccc1Br
InChIInChI=1S/C19H22BrN3O/c1-14-8-9-18-15(13-14)5-4-11-23(18)12-10-21-19(24)22-17-7-3-2-6-16(17)20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H2,21,22,24)
InChIKeyWIBHDRWSMPUJHI-UHFFFAOYSA-N
XLogP4.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.33
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
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-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
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
1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10215835
1-(2-bromophenyl)-3-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10237325

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea (CID 10150598) is 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is Cc1ccc2c(c1)CCCN2CCNC(=O)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
The InChIKey is WIBHDRWSMPUJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-14-8-9-18-15(13-14)5-4-11-23(18)12-10-21-19(24)22-17-7-3-2-6-16(17)20/h2-3,6-9,13H,4-5,10-12H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea?
1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea has a molecular weight of 388.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]urea is sourced from PubChem (CID 10150598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).