1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea

C22H24BrN5O — CID 46280031

IUPAC1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C22H24BrN5O/c1-15-13-21(28-11-9-27(2)10-12-28)26-20-8-7-18(14-19(15)20)25-22(29)24-17-5-3-16(23)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyZANIPQLQIJRQIW-UHFFFAOYSA-N
MW454.37 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea

1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea (PubChem CID 46280031) has the molecular formula C22H24BrN5O and a molecular weight of 454.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
PubChem CID46280031
Molecular FormulaC22H24BrN5O
Molecular Weight454.37 g/mol
Exact Mass453.12
IUPAC Name1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
SMILESCc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12
InChIInChI=1S/C22H24BrN5O/c1-15-13-21(28-11-9-27(2)10-12-28)26-20-8-7-18(14-19(15)20)25-22(29)24-17-5-3-16(23)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyZANIPQLQIJRQIW-UHFFFAOYSA-N
XLogP4.70
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288414
6-bromo-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]hexanamide
CID 90005472
N-(4-ethoxyphenyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427017
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
3-(4-bromophenyl)-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)prop-2-enamide
CID 3266592
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
(E)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 46505210
(2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654185
(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654184
N-(3-ethoxypropyl)-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]butanediamide
CID 22427036
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea (CID 46280031) is 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea is Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)Nc3ccc(Br)cc3)cc12.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea?
The InChIKey is ZANIPQLQIJRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN5O/c1-15-13-21(28-11-9-27(2)10-12-28)26-20-8-7-18(14-19(15)20)25-22(29)24-17-5-3-16(23)4-6-17/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea?
1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea has a molecular weight of 454.37 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea is sourced from PubChem (CID 46280031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).