methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

C18H23N3O3 — CID 51416486

IUPACmethyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1
InChIInChI=1S/C18H23N3O3/c1-5-21-9-12(10(2)20-21)16-15(18(23)24-4)11(3)19-13-7-6-8-14(22)17(13)16/h9,16,19H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyMLNPGAFNRQNWKQ-INIZCTEOSA-N
MW329.40 g/mol
LogP2.35
Rot. Bonds3

About methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (PubChem CID 51416486) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
PubChem CID51416486
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Namemethyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SMILESCCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1
InChIInChI=1S/C18H23N3O3/c1-5-21-9-12(10(2)20-21)16-15(18(23)24-4)11(3)19-13-7-6-8-14(22)17(13)16/h9,16,19H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyMLNPGAFNRQNWKQ-INIZCTEOSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (4S)-2-methyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049412
methyl 4-[4-(diethylamino)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847792
methyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 746997
methyl (4S)-2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 981319
methyl (4S)-2-methyl-5-oxo-4-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 716545
methyl 4-(1,3-dimethylpyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 19616221
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
methyl (4S)-4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049462
ethyl (4S)-4-(2-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1367562
methyl (4S)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1101400
ethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848187
ethyl 2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2763934

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The IUPAC name of methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate (CID 51416486) is methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is CCn1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)n1.
What is the InChIKey of methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
The InChIKey is MLNPGAFNRQNWKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-21-9-12(10(2)20-21)16-15(18(23)24-4)11(3)19-13-7-6-8-14(22)17(13)16/h9,16,19H,5-8H2,1-4H3/t16-/m0/s1.
What are the key properties of methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate?
methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-(1-ethyl-3-methylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate is sourced from PubChem (CID 51416486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).