2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol

C18H24N4O3 — CID 133437109

IUPAC2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(C)(C)O)CC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C18H24N4O3/c1-13-11-16(14-5-4-6-15(22(24)25)17(14)19-13)21-9-7-20(8-10-21)12-18(2,3)23/h4-6,11,23H,7-10,12H2,1-3H3
InChIKeyHJWQBMLJUSZGPN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.34
Rot. Bonds4

About 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol

2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133437109) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
PubChem CID133437109
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol
SMILESCc1cc(N2CCN(CC(C)(C)O)CC2)c2cccc([N+](=O)[O-])c2n1
InChIInChI=1S/C18H24N4O3/c1-13-11-16(14-5-4-6-15(22(24)25)17(14)19-13)21-9-7-20(8-10-21)12-18(2,3)23/h4-6,11,23H,7-10,12H2,1-3H3
InChIKeyHJWQBMLJUSZGPN-UHFFFAOYSA-N
XLogP2.34
TPSA82.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol (CID 133437109) is 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol is Cc1cc(N2CCN(CC(C)(C)O)CC2)c2cccc([N+](=O)[O-])c2n1.
What is the InChIKey of 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is HJWQBMLJUSZGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13-11-16(14-5-4-6-15(22(24)25)17(14)19-13)21-9-7-20(8-10-21)12-18(2,3)23/h4-6,11,23H,7-10,12H2,1-3H3.
What are the key properties of 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 344.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-methyl-8-nitroquinolin-4-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133437109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).