(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide

C18H22N4O3 — CID 128984082

IUPAC(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(N(C)C)nc3ccccc23)C1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-9-13(12-6-4-5-7-14(12)20-16)18(24)22-10-11(25-3)8-15(22)17(19)23/h4-7,9,11,15H,8,10H2,1-3H3,(H2,19,23)/t11-,15-/m0/s1
InChIKeyCIHSGZNMZIKQOU-NHYWBVRUSA-N
MW342.40 g/mol
LogP1.02
Rot. Bonds4

About (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 128984082) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID128984082
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(N(C)C)nc3ccccc23)C1
InChIInChI=1S/C18H22N4O3/c1-21(2)16-9-13(12-6-4-5-7-14(12)20-16)18(24)22-10-11(25-3)8-15(22)17(19)23/h4-7,9,11,15H,8,10H2,1-3H3,(H2,19,23)/t11-,15-/m0/s1
InChIKeyCIHSGZNMZIKQOU-NHYWBVRUSA-N
XLogP1.02
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide
CID 122133427
(3S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112103
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
(2S,4S)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxamide
CID 128990410
(2S,4S)-1-(2-chloro-4-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983598
[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone
CID 97347863
1-[6-(dimethylamino)pyridine-3-carbonyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359705
(2S,4S)-4-methoxy-1-[1-(4-methoxyphenyl)pyrazole-3-carbonyl]pyrrolidine-2-carboxamide
CID 122132866
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
(2-cyclopropylquinolin-4-yl)-[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 154737146
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide (CID 128984082) is (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(C(=O)c2cc(N(C)C)nc3ccccc23)C1.
What is the InChIKey of (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is CIHSGZNMZIKQOU-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21(2)16-9-13(12-6-4-5-7-14(12)20-16)18(24)22-10-11(25-3)8-15(22)17(19)23/h4-7,9,11,15H,8,10H2,1-3H3,(H2,19,23)/t11-,15-/m0/s1.
What are the key properties of (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 128984082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).