(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine

C23H27N3O — CID 89419465

IUPAC(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESC=C1CCCc2ccc(CCCc3ccc4c(n3)/C(=N/OC)CCC4)nc21
InChIInChI=1S/C23H27N3O/c1-16-6-3-7-17-12-14-19(24-22(16)17)9-5-10-20-15-13-18-8-4-11-21(26-27-2)23(18)25-20/h12-15H,1,3-11H2,2H3/b26-21+
InChIKeyKEPSEYXUVCFOAV-YYADALCUSA-N
MW361.49 g/mol
LogP4.69
Rot. Bonds5

About (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine

(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine (PubChem CID 89419465) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine
PubChem CID89419465
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine
SMILESC=C1CCCc2ccc(CCCc3ccc4c(n3)/C(=N/OC)CCC4)nc21
InChIInChI=1S/C23H27N3O/c1-16-6-3-7-17-12-14-19(24-22(16)17)9-5-10-20-15-13-18-8-4-11-21(26-27-2)23(18)25-20/h12-15H,1,3-11H2,2H3/b26-21+
InChIKeyKEPSEYXUVCFOAV-YYADALCUSA-N
XLogP4.69
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(E)-N-methoxy-2-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propyl]-6,7-dihydro-5H-quinolin-8-imine
CID 89419481
(E)-4-methoxy-N-[3-[(8E)-8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl]propoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 71744520
(E)-2-ethenyl-N-methoxy-6,7-dihydro-5H-quinolin-8-imine
CID 89419528
N-methoxy-2-[3-(8-methoxyimino-6,7-dihydro-5H-quinolin-2-yl)propyl]-5-[[1-[6-[3-[6-(N-methoxy-C-methylcarbonimidoyl)-2-pyridinyl]propyl]-2-pyridinyl]ethylideneamino]oxymethyl]-6,7-dihydro-5H-quinolin-8-imine
CID 123991363
(E)-2-methyl-N-[3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-6,7-dihydro-5H-quinolin-8-imine
CID 56655930
3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropan-1-ol
CID 88583607
(Z)-N-[3-[6-[(Z)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2-methyl-6,7-dihydro-5H-quinazolin-8-imine
CID 131741428
1,3-bis[[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxy]propan-2-ol
CID 88583506
(E)-7-chloro-N-[3-[6-[(E)-N-methoxy-C-methylcarbonimidoyl]-2-pyridinyl]propoxy]-2,3-dihydro-1H-acridin-4-imine
CID 87171823
12,24-dibutyl-7-N,29-N-dimethoxy-2,5,31,34-tetrazaoctacyclo[16.16.0.03,16.04,13.06,11.020,33.023,32.025,30]tetratriaconta-1,3(16),4(13),5,11,17,19,23(32),24,30,33-undecaene-7,29-diimine
CID 5465783
(E)-N-[3-[(E)-1-(4,6-dimethylpyrimidin-2-yl)ethylideneamino]oxy-2,2-dimethylpropoxy]-2-methyl-6,7-dihydro-5H-quinolin-8-imine
CID 71586728
(E)-N-[2,2-dimethyl-3-[(E)-(2-methyl-6,7-dihydro-5H-quinolin-8-ylidene)amino]oxypropoxy]-2,3,5,6,7,8-hexahydro-1H-acridin-4-imine
CID 56599310

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine?
The IUPAC name of (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine (CID 89419465) is (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine.
What is the SMILES notation for (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine?
The canonical SMILES for (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine is C=C1CCCc2ccc(CCCc3ccc4c(n3)/C(=N/OC)CCC4)nc21.
What is the InChIKey of (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine?
The InChIKey is KEPSEYXUVCFOAV-YYADALCUSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-6-3-7-17-12-14-19(24-22(16)17)9-5-10-20-15-13-18-8-4-11-21(26-27-2)23(18)25-20/h12-15H,1,3-11H2,2H3/b26-21+.
What are the key properties of (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine?
(E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine has a molecular weight of 361.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-[3-(8-methylidene-6,7-dihydro-5H-quinolin-2-yl)propyl]-6,7-dihydro-5H-quinolin-8-imine is sourced from PubChem (CID 89419465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).