(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

C20H21N5O2 — CID 154737146

IUPAC(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc(C3CC3)nc3ccccc23)C1
InChIInChI=1S/C20H21N5O2/c1-27-13-8-18(19-21-11-22-24-19)25(10-13)20(26)15-9-17(12-6-7-12)23-16-5-3-2-4-14(15)16/h2-5,9,11-13,18H,6-8,10H2,1H3,(H,21,22,24)/t13-,18+/m1/s1
InChIKeyQIZVDKOCWIUBCS-ACJLOTCBSA-N
MW363.42 g/mol
LogP2.83
Rot. Bonds4

About (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone

(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 154737146) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID154737146
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc(C3CC3)nc3ccccc23)C1
InChIInChI=1S/C20H21N5O2/c1-27-13-8-18(19-21-11-22-24-19)25(10-13)20(26)15-9-17(12-6-7-12)23-16-5-3-2-4-14(15)16/h2-5,9,11-13,18H,6-8,10H2,1H3,(H,21,22,24)/t13-,18+/m1/s1
InChIKeyQIZVDKOCWIUBCS-ACJLOTCBSA-N
XLogP2.83
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 128985231
1-benzofuran-2-yl-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985395
(3-chloro-2-methylphenyl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 128985182
[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 128985149
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 128990463
2-[3-(methoxymethyl)phenyl]-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985320
[(2S,4R)-2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-4-methoxypyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 128985093
1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-2-(7-methyl-1H-indol-3-yl)ethanone
CID 128985253
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(2-cyclopropylquinolin-4-yl)-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120569385
(2S,4S)-4-amino-1-(2-cyclopropylquinoline-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 56701446
2-(2,3-dihydroindol-1-yl)-1-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 128985139

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone (CID 154737146) is (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is CO[C@@H]1C[C@@H](c2ncn[nH]2)N(C(=O)c2cc(C3CC3)nc3ccccc23)C1.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QIZVDKOCWIUBCS-ACJLOTCBSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-13-8-18(19-21-11-22-24-19)25(10-13)20(26)15-9-17(12-6-7-12)23-16-5-3-2-4-14(15)16/h2-5,9,11-13,18H,6-8,10H2,1H3,(H,21,22,24)/t13-,18+/m1/s1.
What are the key properties of (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone?
(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 363.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).