7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline

C20H20BrN3 — CID 174246213

IUPAC7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline
SMILESCc1c(Br)cc(CN2CCN(c3ccccc3)C2)c2cccnc12
InChIInChI=1S/C20H20BrN3/c1-15-19(21)12-16(18-8-5-9-22-20(15)18)13-23-10-11-24(14-23)17-6-3-2-4-7-17/h2-9,12H,10-11,13-14H2,1H3
InChIKeyBXPGDTXQCFPATQ-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.59
Rot. Bonds3

About 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline

7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline (PubChem CID 174246213) has the molecular formula C20H20BrN3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline
PubChem CID174246213
Molecular FormulaC20H20BrN3
Molecular Weight382.31 g/mol
Exact Mass381.08
IUPAC Name7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline
SMILESCc1c(Br)cc(CN2CCN(c3ccccc3)C2)c2cccnc12
InChIInChI=1S/C20H20BrN3/c1-15-19(21)12-16(18-8-5-9-22-20(15)18)13-23-10-11-24(14-23)17-6-3-2-4-7-17/h2-9,12H,10-11,13-14H2,1H3
InChIKeyBXPGDTXQCFPATQ-UHFFFAOYSA-N
XLogP4.59
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline?
The IUPAC name of 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline (CID 174246213) is 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline.
What is the SMILES notation for 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline?
The canonical SMILES for 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline is Cc1c(Br)cc(CN2CCN(c3ccccc3)C2)c2cccnc12.
What is the InChIKey of 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline?
The InChIKey is BXPGDTXQCFPATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3/c1-15-19(21)12-16(18-8-5-9-22-20(15)18)13-23-10-11-24(14-23)17-6-3-2-4-7-17/h2-9,12H,10-11,13-14H2,1H3.
What are the key properties of 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline?
7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline has a molecular weight of 382.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-8-methyl-5-[(3-phenylimidazolidin-1-yl)methyl]quinoline is sourced from PubChem (CID 174246213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).