methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate

C19H21N3O3 — CID 97009904

IUPACmethyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H21N3O3/c1-21-11-12(10-20-21)15-9-16(15)18(23)22-8-4-6-13-14(19(24)25-2)5-3-7-17(13)22/h3,5,7,10-11,15-16H,4,6,8-9H2,1-2H3/t15-,16-/m1/s1
InChIKeyUQCOPBGTKQZGNK-HZPDHXFCSA-N
MW339.40 g/mol
LogP2.29
Rot. Bonds3

About methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 97009904) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID97009904
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namemethyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1
InChIInChI=1S/C19H21N3O3/c1-21-11-12(10-20-21)15-9-16(15)18(23)22-8-4-6-13-14(19(24)25-2)5-3-7-17(13)22/h3,5,7,10-11,15-16H,4,6,8-9H2,1-2H3/t15-,16-/m1/s1
InChIKeyUQCOPBGTKQZGNK-HZPDHXFCSA-N
XLogP2.29
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-2,3-dihydroindole-5-carboxylate
CID 122135010
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 42890375
methyl 3-[[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]naphthalene-2-carboxylate
CID 95047778
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 75466524
[(3S)-3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124880964
trans-(1R,2R)-N-(2-acetylphenyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049899
[1-methyl-3-(1-methylpyrazol-4-yl)piperidin-4-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 155952398
(4-methyl-2,3-dihydroquinoxalin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939752
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95585732
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757
methyl 1-[2-(4-iodophenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033526
1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365533

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate (CID 97009904) is methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1.
What is the InChIKey of methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is UQCOPBGTKQZGNK-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-11-12(10-20-21)15-9-16(15)18(23)22-8-4-6-13-14(19(24)25-2)5-3-7-17(13)22/h3,5,7,10-11,15-16H,4,6,8-9H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 97009904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).