1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea

C22H23BrN4O — CID 46288414

IUPAC1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3cccc(Br)c3)cc12
InChIInChI=1S/C22H23BrN4O/c1-15-12-21(27-10-3-2-4-11-27)26-20-9-8-18(14-19(15)20)25-22(28)24-17-7-5-6-16(23)13-17/h5-9,12-14H,2-4,10-11H2,1H3,(H2,24,25,28)
InChIKeyBSKJAAQIOMNRCV-UHFFFAOYSA-N
MW439.36 g/mol
LogP5.94
Rot. Bonds3

About 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea

1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea (PubChem CID 46288414) has the molecular formula C22H23BrN4O and a molecular weight of 439.36 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
PubChem CID46288414
Molecular FormulaC22H23BrN4O
Molecular Weight439.36 g/mol
Exact Mass438.11
IUPAC Name1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
SMILESCc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3cccc(Br)c3)cc12
InChIInChI=1S/C22H23BrN4O/c1-15-12-21(27-10-3-2-4-11-27)26-20-9-8-18(14-19(15)20)25-22(28)24-17-7-5-6-16(23)13-17/h5-9,12-14H,2-4,10-11H2,1H3,(H2,24,25,28)
InChIKeyBSKJAAQIOMNRCV-UHFFFAOYSA-N
XLogP5.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.36
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 46280031
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288431
1-(3-fluoro-4-methylphenyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288477
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311
3-(2,3-dimethoxyphenyl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 3490612
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)urea
CID 46288486
1-(2-methoxyethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005440
2,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 4648744
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 22427697
N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364144

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea (CID 46288414) is 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea is Cc1cc(N2CCCCC2)nc2ccc(NC(=O)Nc3cccc(Br)c3)cc12.
What is the InChIKey of 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
The InChIKey is BSKJAAQIOMNRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O/c1-15-12-21(27-10-3-2-4-11-27)26-20-9-8-18(14-19(15)20)25-22(28)24-17-7-5-6-16(23)13-17/h5-9,12-14H,2-4,10-11H2,1H3,(H2,24,25,28).
What are the key properties of 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea?
1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea has a molecular weight of 439.36 g/mol, XLogP of 5.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea is sourced from PubChem (CID 46288414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).