1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol

C23H28N4O3 — CID 88583506

IUPAC1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol
SMILESCc1ccc2c(n1)/C(=N/OCC(O)CO/N=C1\CCCc3ccc(C)nc31)CCC2
InChIInChI=1S/C23H28N4O3/c1-15-9-11-17-5-3-7-20(22(17)24-15)26-29-13-19(28)14-30-27-21-8-4-6-18-12-10-16(2)25-23(18)21/h9-12,19,28H,3-8,13-14H2,1-2H3/b26-20+,27-21+
InChIKeyUCPQFYFCPLNTPA-CRYYDKFDSA-N
MW408.50 g/mol
LogP3.27
Rot. Bonds6

About 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol

1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol (PubChem CID 88583506) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol
PubChem CID88583506
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol
SMILESCc1ccc2c(n1)/C(=N/OCC(O)CO/N=C1\CCCc3ccc(C)nc31)CCC2
InChIInChI=1S/C23H28N4O3/c1-15-9-11-17-5-3-7-20(22(17)24-15)26-29-13-19(28)14-30-27-21-8-4-6-18-12-10-16(2)25-23(18)21/h9-12,19,28H,3-8,13-14H2,1-2H3/b26-20+,27-21+
InChIKeyUCPQFYFCPLNTPA-CRYYDKFDSA-N
XLogP3.27
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol?
The IUPAC name of 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol (CID 88583506) is 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol?
The canonical SMILES for 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol is Cc1ccc2c(n1)/C(=N/OCC(O)CO/N=C1\CCCc3ccc(C)nc31)CCC2.
What is the InChIKey of 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol?
The InChIKey is UCPQFYFCPLNTPA-CRYYDKFDSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-15-9-11-17-5-3-7-20(22(17)24-15)26-29-13-19(28)14-30-27-21-8-4-6-18-12-10-16(2)25-23(18)21/h9-12,19,28H,3-8,13-14H2,1-2H3/b26-20+,27-21+.
What are the key properties of 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol?
1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol is sourced from PubChem (CID 88583506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).