N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

C26H30N4O2 — CID 123809968

IUPACN-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCC(=NOCC(C)(C)CON=C1CCCc2ccc(C)nc21)c1ccc2ccccc2n1
InChIInChI=1S/C26H30N4O2/c1-18-12-13-21-9-7-11-24(25(21)27-18)30-32-17-26(3,4)16-31-29-19(2)22-15-14-20-8-5-6-10-23(20)28-22/h5-6,8,10,12-15H,7,9,11,16-17H2,1-4H3
InChIKeyKYJQZKKXIZHNTM-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.46
Rot. Bonds7

About N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine

N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 123809968) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound NameN-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
PubChem CID123809968
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
SMILESCC(=NOCC(C)(C)CON=C1CCCc2ccc(C)nc21)c1ccc2ccccc2n1
InChIInChI=1S/C26H30N4O2/c1-18-12-13-21-9-7-11-24(25(21)27-18)30-32-17-26(3,4)16-31-29-19(2)22-15-14-20-8-5-6-10-23(20)28-22/h5-6,8,10,12-15H,7,9,11,16-17H2,1-4H3
InChIKeyKYJQZKKXIZHNTM-UHFFFAOYSA-N
XLogP5.46
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine (CID 123809968) is N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is CC(=NOCC(C)(C)CON=C1CCCc2ccc(C)nc21)c1ccc2ccccc2n1.
What is the InChIKey of N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is KYJQZKKXIZHNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-12-13-21-9-7-11-24(25(21)27-18)30-32-17-26(3,4)16-31-29-19(2)22-15-14-20-8-5-6-10-23(20)28-22/h5-6,8,10,12-15H,7,9,11,16-17H2,1-4H3.
What are the key properties of N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine?
N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 430.55 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-3-(1-quinolin-2-ylethylideneamino)oxypropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 123809968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).