4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol

C22H31N3O — CID 174619541

IUPAC4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol
SMILESCCCCN1CCC(c2nc3ccccc3c3cn(C)cc23)CC1.CO
InChIInChI=1S/C21H27N3.CH4O/c1-3-4-11-24-12-9-16(10-13-24)21-19-15-23(2)14-18(19)17-7-5-6-8-20(17)22-21;1-2/h5-8,14-16H,3-4,9-13H2,1-2H3;2H,1H3
InChIKeyDJOKZFICFSSIOE-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.31
Rot. Bonds4

About 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol

4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol (PubChem CID 174619541) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol
PubChem CID174619541
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol
SMILESCCCCN1CCC(c2nc3ccccc3c3cn(C)cc23)CC1.CO
InChIInChI=1S/C21H27N3.CH4O/c1-3-4-11-24-12-9-16(10-13-24)21-19-15-23(2)14-18(19)17-7-5-6-8-20(17)22-21;1-2/h5-8,14-16H,3-4,9-13H2,1-2H3;2H,1H3
InChIKeyDJOKZFICFSSIOE-UHFFFAOYSA-N
XLogP4.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol?
The IUPAC name of 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol (CID 174619541) is 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol is CCCCN1CCC(c2nc3ccccc3c3cn(C)cc23)CC1.CO.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol?
The InChIKey is DJOKZFICFSSIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.CH4O/c1-3-4-11-24-12-9-16(10-13-24)21-19-15-23(2)14-18(19)17-7-5-6-8-20(17)22-21;1-2/h5-8,14-16H,3-4,9-13H2,1-2H3;2H,1H3.
What are the key properties of 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol?
4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol has a molecular weight of 353.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)-2-methylpyrrolo[3,4-c]quinoline;methanol is sourced from PubChem (CID 174619541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).