2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline

C19H24N4O2 — CID 133436763

IUPAC2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
SMILESCc1cc(N2CCC(N3CCCC3)CC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O2/c1-14-13-18(16-5-4-6-17(23(24)25)19(16)20-14)22-11-7-15(8-12-22)21-9-2-3-10-21/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyPDTLOIATNUDMKT-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.52
Rot. Bonds3

About 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline

2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline (PubChem CID 133436763) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
PubChem CID133436763
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline
SMILESCc1cc(N2CCC(N3CCCC3)CC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C19H24N4O2/c1-14-13-18(16-5-4-6-17(23(24)25)19(16)20-14)22-11-7-15(8-12-22)21-9-2-3-10-21/h4-6,13,15H,2-3,7-12H2,1H3
InChIKeyPDTLOIATNUDMKT-UHFFFAOYSA-N
XLogP3.52
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline?
The IUPAC name of 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline (CID 133436763) is 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline.
What is the SMILES notation for 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline?
The canonical SMILES for 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline is Cc1cc(N2CCC(N3CCCC3)CC2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline?
The InChIKey is PDTLOIATNUDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-13-18(16-5-4-6-17(23(24)25)19(16)20-14)22-11-7-15(8-12-22)21-9-2-3-10-21/h4-6,13,15H,2-3,7-12H2,1H3.
What are the key properties of 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline?
2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline has a molecular weight of 340.43 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline is sourced from PubChem (CID 133436763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).