3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline

C25H30N2O — CID 145305813

IUPAC3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
SMILESCc1cnc2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1C
InChIInChI=1S/C25H30N2O/c1-19-18-26-25-12-9-22(17-24(25)20(19)2)21-7-10-23(11-8-21)28-16-6-15-27-13-4-3-5-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3
InChIKeyCXMKFFPSHNRFFK-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.77
Rot. Bonds6

About 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline

3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline (PubChem CID 145305813) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline.

Molecular Properties

Compound Name3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
PubChem CID145305813
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
SMILESCc1cnc2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1C
InChIInChI=1S/C25H30N2O/c1-19-18-26-25-12-9-22(17-24(25)20(19)2)21-7-10-23(11-8-21)28-16-6-15-27-13-4-3-5-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3
InChIKeyCXMKFFPSHNRFFK-UHFFFAOYSA-N
XLogP5.77
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxycyclohexyl)-N-[3-methyl-6-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-4-yl]acetamide
CID 145305806
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
2-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-6-pyridin-4-ylquinazolin-4-one
CID 11669670
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 143618011
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
2-methyl-6-(3-methylphenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]quinazolin-4-one
CID 11583574
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
6-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propan-2-yl-4,5-dihydro-3H-pyridazine
CID 141200350
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline?
The IUPAC name of 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline (CID 145305813) is 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline.
What is the SMILES notation for 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline?
The canonical SMILES for 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline is Cc1cnc2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2c1C.
What is the InChIKey of 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline?
The InChIKey is CXMKFFPSHNRFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-19-18-26-25-12-9-22(17-24(25)20(19)2)21-7-10-23(11-8-21)28-16-6-15-27-13-4-3-5-14-27/h7-12,17-18H,3-6,13-16H2,1-2H3.
What are the key properties of 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline?
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline has a molecular weight of 374.53 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline is sourced from PubChem (CID 145305813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).