(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine

C23H34N4O — CID 155418510

IUPAC(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESCC1CCc2c(ccc(C(=C/N)/C=N/C3CCNCC3)c2OC2CCC2)N1C
InChIInChI=1S/C23H34N4O/c1-16-6-7-21-22(27(16)2)9-8-20(23(21)28-19-4-3-5-19)17(14-24)15-26-18-10-12-25-13-11-18/h8-9,14-16,18-19,25H,3-7,10-13,24H2,1-2H3/b17-14+,26-15+
InChIKeyWXABKYLBJSADLJ-NGQJDVRGSA-N
MW382.55 g/mol
LogP3.51
Rot. Bonds5

About (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine

(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine (PubChem CID 155418510) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine
PubChem CID155418510
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine
SMILESCC1CCc2c(ccc(C(=C/N)/C=N/C3CCNCC3)c2OC2CCC2)N1C
InChIInChI=1S/C23H34N4O/c1-16-6-7-21-22(27(16)2)9-8-20(23(21)28-19-4-3-5-19)17(14-24)15-26-18-10-12-25-13-11-18/h8-9,14-16,18-19,25H,3-7,10-13,24H2,1-2H3/b17-14+,26-15+
InChIKeyWXABKYLBJSADLJ-NGQJDVRGSA-N
XLogP3.51
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine (CID 155418510) is (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine is CC1CCc2c(ccc(C(=C/N)/C=N/C3CCNCC3)c2OC2CCC2)N1C.
What is the InChIKey of (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine?
The InChIKey is WXABKYLBJSADLJ-NGQJDVRGSA-N. The full InChI is InChI=1S/C23H34N4O/c1-16-6-7-21-22(27(16)2)9-8-20(23(21)28-19-4-3-5-19)17(14-24)15-26-18-10-12-25-13-11-18/h8-9,14-16,18-19,25H,3-7,10-13,24H2,1-2H3/b17-14+,26-15+.
What are the key properties of (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine?
(Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine has a molecular weight of 382.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-cyclobutyloxy-1,2-dimethyl-3,4-dihydro-2H-quinolin-6-yl)-3-piperidin-4-yliminoprop-1-en-1-amine is sourced from PubChem (CID 155418510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).