6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol

C24H18N4O2 — CID 135992054

IUPAC6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol
SMILESOc1[nH]c2cc(/C=N/OCc3ccccn3)ccc2c1-c1ccc2ccccc2n1
InChIInChI=1S/C24H18N4O2/c29-24-23(21-11-9-17-5-1-2-7-20(17)27-21)19-10-8-16(13-22(19)28-24)14-26-30-15-18-6-3-4-12-25-18/h1-14,28-29H,15H2/b26-14+
InChIKeyPOZXNGKYHQXSHA-VULFUBBASA-N
MW394.43 g/mol
LogP5.03
Rot. Bonds5

About 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol

6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol (PubChem CID 135992054) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol.

Molecular Properties

Compound Name6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol
PubChem CID135992054
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol
SMILESOc1[nH]c2cc(/C=N/OCc3ccccn3)ccc2c1-c1ccc2ccccc2n1
InChIInChI=1S/C24H18N4O2/c29-24-23(21-11-9-17-5-1-2-7-20(17)27-21)19-10-8-16(13-22(19)28-24)14-26-30-15-18-6-3-4-12-25-18/h1-14,28-29H,15H2/b26-14+
InChIKeyPOZXNGKYHQXSHA-VULFUBBASA-N
XLogP5.03
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol?
The IUPAC name of 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol (CID 135992054) is 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol.
What is the SMILES notation for 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol?
The canonical SMILES for 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol is Oc1[nH]c2cc(/C=N/OCc3ccccn3)ccc2c1-c1ccc2ccccc2n1.
What is the InChIKey of 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol?
The InChIKey is POZXNGKYHQXSHA-VULFUBBASA-N. The full InChI is InChI=1S/C24H18N4O2/c29-24-23(21-11-9-17-5-1-2-7-20(17)27-21)19-10-8-16(13-22(19)28-24)14-26-30-15-18-6-3-4-12-25-18/h1-14,28-29H,15H2/b26-14+.
What are the key properties of 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol?
6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol has a molecular weight of 394.43 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-pyridin-2-ylmethoxyiminomethyl]-3-quinolin-2-yl-1H-indol-2-ol is sourced from PubChem (CID 135992054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).