1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline

C28H26FN5 — CID 11328446

IUPAC1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
SMILESCN1CCN(Cc2cccc(-c3ccc4ncc5ncn(-c6ccccc6F)c5c4c3)c2)CC1
InChIInChI=1S/C28H26FN5/c1-32-11-13-33(14-12-32)18-20-5-4-6-21(15-20)22-9-10-25-23(16-22)28-26(17-30-25)31-19-34(28)27-8-3-2-7-24(27)29/h2-10,15-17,19H,11-14,18H2,1H3
InChIKeyLICAENUXQGUDCW-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.13
Rot. Bonds4

About 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline

1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline (PubChem CID 11328446) has the molecular formula C28H26FN5 and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
PubChem CID11328446
Molecular FormulaC28H26FN5
Molecular Weight451.55 g/mol
Exact Mass451.22
IUPAC Name1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline
SMILESCN1CCN(Cc2cccc(-c3ccc4ncc5ncn(-c6ccccc6F)c5c4c3)c2)CC1
InChIInChI=1S/C28H26FN5/c1-32-11-13-33(14-12-32)18-20-5-4-6-21(15-20)22-9-10-25-23(16-22)28-26(17-30-25)31-19-34(28)27-8-3-2-7-24(27)29/h2-10,15-17,19H,11-14,18H2,1H3
InChIKeyLICAENUXQGUDCW-UHFFFAOYSA-N
XLogP5.13
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline?
The IUPAC name of 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline (CID 11328446) is 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline is CN1CCN(Cc2cccc(-c3ccc4ncc5ncn(-c6ccccc6F)c5c4c3)c2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline?
The InChIKey is LICAENUXQGUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5/c1-32-11-13-33(14-12-32)18-20-5-4-6-21(15-20)22-9-10-25-23(16-22)28-26(17-30-25)31-19-34(28)27-8-3-2-7-24(27)29/h2-10,15-17,19H,11-14,18H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline?
1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline has a molecular weight of 451.55 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-8-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 11328446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).