methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate

C18H17ClN2O4 — CID 91896274

IUPACmethyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=C1\Oc2cc(C)n(C)c(=O)c2C(c2ccc(Cl)cc2)C1C(=O)OC
InChIInChI=1S/C18H17ClN2O4/c1-9-8-12-14(17(22)21(9)2)13(10-4-6-11(19)7-5-10)15(16(20)25-12)18(23)24-3/h4-8,13,15,20H,1-3H3/b20-16-
InChIKeyMJSVCSSZGQDVCG-SILNSSARSA-N
MW360.80 g/mol
LogP2.64
Rot. Bonds2

About methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate

methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 91896274) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate
PubChem CID91896274
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namemethyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate
SMILES[H]/N=C1\Oc2cc(C)n(C)c(=O)c2C(c2ccc(Cl)cc2)C1C(=O)OC
InChIInChI=1S/C18H17ClN2O4/c1-9-8-12-14(17(22)21(9)2)13(10-4-6-11(19)7-5-10)15(16(20)25-12)18(23)24-3/h4-8,13,15,20H,1-3H3/b20-16-
InChIKeyMJSVCSSZGQDVCG-SILNSSARSA-N
XLogP2.64
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate (CID 91896274) is methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate is [H]/N=C1\Oc2cc(C)n(C)c(=O)c2C(c2ccc(Cl)cc2)C1C(=O)OC.
What is the InChIKey of methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is MJSVCSSZGQDVCG-SILNSSARSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-9-8-12-14(17(22)21(9)2)13(10-4-6-11(19)7-5-10)15(16(20)25-12)18(23)24-3/h4-8,13,15,20H,1-3H3/b20-16-.
What are the key properties of methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate?
methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 360.80 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-chlorophenyl)-2-imino-6,7-dimethyl-5-oxo-3,4-dihydropyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 91896274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).