N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid

C23H31N3O8 — CID 11420170

IUPACN-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid
SMILESCN(CCCCN1CCCCC1)c1ccnc2ccccc12.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C19H27N3.2C2H2O4/c1-21(13-7-8-16-22-14-5-2-6-15-22)19-11-12-20-18-10-4-3-9-17(18)19;2*3-1(4)2(5)6/h3-4,9-12H,2,5-8,13-16H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyDMKXELLZTDRDEN-UHFFFAOYSA-N
MW477.51 g/mol
LogP2.25
Rot. Bonds6

About N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid

N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid (PubChem CID 11420170) has the molecular formula C23H31N3O8 and a molecular weight of 477.51 g/mol. Its IUPAC name is N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid.

Molecular Properties

Compound NameN-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid
PubChem CID11420170
Molecular FormulaC23H31N3O8
Molecular Weight477.51 g/mol
Exact Mass477.21
IUPAC NameN-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid
SMILESCN(CCCCN1CCCCC1)c1ccnc2ccccc12.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C19H27N3.2C2H2O4/c1-21(13-7-8-16-22-14-5-2-6-15-22)19-11-12-20-18-10-4-3-9-17(18)19;2*3-1(4)2(5)6/h3-4,9-12H,2,5-8,13-16H2,1H3;2*(H,3,4)(H,5,6)
InChIKeyDMKXELLZTDRDEN-UHFFFAOYSA-N
XLogP2.25
TPSA168.57 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethyl-[3-[methyl(quinolin-4-yl)amino]propyl]amino]ethanol
CID 21424760
N-methyl-N-(3-morpholin-4-ylpropyl)-6-phenoxyquinolin-4-amine
CID 154873066
N-(7-chloroquinolin-4-yl)-N,N'-bis(3-piperidin-1-ylpropyl)benzenecarboximidamide
CID 118735292
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-quinolin-4-ylmethanone
CID 59250163
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 71442189
N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 90720781
methyl 1-(quinolin-4-ylmethyl)piperidine-3-carboxylate
CID 115537032
N,9-dimethyl-N-(4-piperidin-1-ylbutyl)carbazole-2-carboxamide
CID 59933143
6-[methyl-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propyl]amino]-7-phenylmethoxyquinoline-4-carboxylic acid
CID 178032796
4-[5-hydroxypentyl(methyl)amino]quinoline-3-carboxylic acid
CID 107200323
6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 63208877
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid?
The IUPAC name of N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid (CID 11420170) is N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid.
What is the SMILES notation for N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid?
The canonical SMILES for N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid is CN(CCCCN1CCCCC1)c1ccnc2ccccc12.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid?
The InChIKey is DMKXELLZTDRDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3.2C2H2O4/c1-21(13-7-8-16-22-14-5-2-6-15-22)19-11-12-20-18-10-4-3-9-17(18)19;2*3-1(4)2(5)6/h3-4,9-12H,2,5-8,13-16H2,1H3;2*(H,3,4)(H,5,6).
What are the key properties of N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid?
N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid has a molecular weight of 477.51 g/mol, XLogP of 2.25, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;oxalic acid is sourced from PubChem (CID 11420170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).