methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

C19H25N3O3 — CID 19616074

IUPACmethyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(C)nn1C
InChIInChI=1S/C19H25N3O3/c1-10-7-13(22(5)21-10)17-15(18(24)25-6)11(2)20-12-8-19(3,4)9-14(23)16(12)17/h7,17,20H,8-9H2,1-6H3
InChIKeyOMVKRBVZEQGMQR-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds2

About methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate

methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (PubChem CID 19616074) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
PubChem CID19616074
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Namemethyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
SMILESCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(C)nn1C
InChIInChI=1S/C19H25N3O3/c1-10-7-13(22(5)21-10)17-15(18(24)25-6)11(2)20-12-8-19(3,4)9-14(23)16(12)17/h7,17,20H,8-9H2,1-6H3
InChIKeyOMVKRBVZEQGMQR-UHFFFAOYSA-N
XLogP2.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate (CID 19616074) is methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc(C)nn1C.
What is the InChIKey of methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is OMVKRBVZEQGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-10-7-13(22(5)21-10)17-15(18(24)25-6)11(2)20-12-8-19(3,4)9-14(23)16(12)17/h7,17,20H,8-9H2,1-6H3.
What are the key properties of methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate?
methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 343.43 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dimethylpyrazol-3-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 19616074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).