ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate

C23H23N3O3 — CID 20933516

IUPACethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)22-20(25-14-6-8-17-7-4-5-9-19(17)25)15-21(27)26(24-22)18-12-10-16(2)11-13-18/h4-5,7,9-13,15H,3,6,8,14H2,1-2H3
InChIKeyBFWQXWMOHOGTAF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.80
Rot. Bonds4

About ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate

ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate (PubChem CID 20933516) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
PubChem CID20933516
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Nameethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCCc2ccccc21
InChIInChI=1S/C23H23N3O3/c1-3-29-23(28)22-20(25-14-6-8-17-7-4-5-9-19(17)25)15-21(27)26(24-22)18-12-10-16(2)11-13-18/h4-5,7,9-13,15H,3,6,8,14H2,1-2H3
InChIKeyBFWQXWMOHOGTAF-UHFFFAOYSA-N
XLogP3.80
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate?
The IUPAC name of ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate (CID 20933516) is ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate is CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1N1CCCc2ccccc21.
What is the InChIKey of ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate?
The InChIKey is BFWQXWMOHOGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-3-29-23(28)22-20(25-14-6-8-17-7-4-5-9-19(17)25)15-21(27)26(24-22)18-12-10-16(2)11-13-18/h4-5,7,9-13,15H,3,6,8,14H2,1-2H3.
What are the key properties of ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate?
ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate has a molecular weight of 389.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate is sourced from PubChem (CID 20933516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).