(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone

C22H25FN2O3 — CID 18835088

IUPAC(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone
SMILESCc1c(C(=O)N2c3ccc(F)cc3CCC2C)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C22H25FN2O3/c1-12-5-6-14-9-15(23)7-8-17(14)25(12)21(26)20-13(2)19-16(24-27)10-22(3,4)11-18(19)28-20/h7-9,12,27H,5-6,10-11H2,1-4H3/b24-16-
InChIKeyMJYFRRZNKLHRKQ-JLPGSUDCSA-N
MW384.45 g/mol
LogP4.86
Rot. Bonds1

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 18835088) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone
PubChem CID18835088
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone
SMILESCc1c(C(=O)N2c3ccc(F)cc3CCC2C)oc2c1/C(=N\O)CC(C)(C)C2
InChIInChI=1S/C22H25FN2O3/c1-12-5-6-14-9-15(23)7-8-17(14)25(12)21(26)20-13(2)19-16(24-27)10-22(3,4)11-18(19)28-20/h7-9,12,27H,5-6,10-11H2,1-4H3/b24-16-
InChIKeyMJYFRRZNKLHRKQ-JLPGSUDCSA-N
XLogP4.86
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone (CID 18835088) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone is Cc1c(C(=O)N2c3ccc(F)cc3CCC2C)oc2c1/C(=N\O)CC(C)(C)C2.
What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is MJYFRRZNKLHRKQ-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-12-5-6-14-9-15(23)7-8-17(14)25(12)21(26)20-13(2)19-16(24-27)10-22(3,4)11-18(19)28-20/h7-9,12,27H,5-6,10-11H2,1-4H3/b24-16-.
What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone?
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 384.45 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[(4Z)-4-hydroxyimino-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 18835088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).