(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline

C25H32N4 — CID 142546341

IUPAC(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline
SMILESCC(C1CCNCC1)n1c(Cc2ccccc2)nc2c3c(ccc21)N[C@@H](C)CC3
InChIInChI=1S/C25H32N4/c1-17-8-9-21-22(27-17)10-11-23-25(21)28-24(16-19-6-4-3-5-7-19)29(23)18(2)20-12-14-26-15-13-20/h3-7,10-11,17-18,20,26-27H,8-9,12-16H2,1-2H3/t17-,18?/m0/s1
InChIKeyHINSHLBSXWGREG-ZENAZSQFSA-N
MW388.56 g/mol
LogP4.93
Rot. Bonds4

About (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline

(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline (PubChem CID 142546341) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline
PubChem CID142546341
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline
SMILESCC(C1CCNCC1)n1c(Cc2ccccc2)nc2c3c(ccc21)N[C@@H](C)CC3
InChIInChI=1S/C25H32N4/c1-17-8-9-21-22(27-17)10-11-23-25(21)28-24(16-19-6-4-3-5-7-19)29(23)18(2)20-12-14-26-15-13-20/h3-7,10-11,17-18,20,26-27H,8-9,12-16H2,1-2H3/t17-,18?/m0/s1
InChIKeyHINSHLBSXWGREG-ZENAZSQFSA-N
XLogP4.93
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline?
The IUPAC name of (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline (CID 142546341) is (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline.
What is the SMILES notation for (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline?
The canonical SMILES for (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline is CC(C1CCNCC1)n1c(Cc2ccccc2)nc2c3c(ccc21)N[C@@H](C)CC3.
What is the InChIKey of (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline?
The InChIKey is HINSHLBSXWGREG-ZENAZSQFSA-N. The full InChI is InChI=1S/C25H32N4/c1-17-8-9-21-22(27-17)10-11-23-25(21)28-24(16-19-6-4-3-5-7-19)29(23)18(2)20-12-14-26-15-13-20/h3-7,10-11,17-18,20,26-27H,8-9,12-16H2,1-2H3/t17-,18?/m0/s1.
What are the key properties of (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline?
(7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline has a molecular weight of 388.56 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2-benzyl-7-methyl-3-(1-piperidin-4-ylethyl)-6,7,8,9-tetrahydroimidazo[4,5-f]quinoline is sourced from PubChem (CID 142546341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).