(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

C24H30N4O3 — CID 71744520

IUPAC(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
SMILESCO/N=C1\CCCc2ccc(CCCO/N=C3\CCCc4c(OC)cc(C)nc43)nc21
InChIInChI=1S/C24H30N4O3/c1-16-15-22(29-2)19-9-5-11-21(24(19)25-16)28-31-14-6-8-18-13-12-17-7-4-10-20(27-30-3)23(17)26-18/h12-13,15H,4-11,14H2,1-3H3/b27-20+,28-21+
InChIKeyKRAHJLJAJSDTMS-KUKFKUQFSA-N
MW422.53 g/mol
LogP4.17
Rot. Bonds7

About (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

(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 (PubChem CID 71744520) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71744520
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name(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
SMILESCO/N=C1\CCCc2ccc(CCCO/N=C3\CCCc4c(OC)cc(C)nc43)nc21
InChIInChI=1S/C24H30N4O3/c1-16-15-22(29-2)19-9-5-11-21(24(19)25-16)28-31-14-6-8-18-13-12-17-7-4-10-20(27-30-3)23(17)26-18/h12-13,15H,4-11,14H2,1-3H3/b27-20+,28-21+
InChIKeyKRAHJLJAJSDTMS-KUKFKUQFSA-N
XLogP4.17
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CO/N=C1\CCCc2ccc(CCCO/N=C3\CCCc4c(OC)cc(C)nc43)nc21.
What is the InChIKey of (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?
The InChIKey is KRAHJLJAJSDTMS-KUKFKUQFSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-15-22(29-2)19-9-5-11-21(24(19)25-16)28-31-14-6-8-18-13-12-17-7-4-10-20(27-30-3)23(17)26-18/h12-13,15H,4-11,14H2,1-3H3/b27-20+,28-21+.
What are the key properties of (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?
(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 has a molecular weight of 422.53 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71744520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).