(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

C16H16F3N3O2 — CID 120923437

IUPAC(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc2nc(N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)ccc2c1
InChIInChI=1S/C16H16F3N3O2/c1-24-10-3-4-13-9(6-10)2-5-14(21-13)22-7-11(15(20)23)12(8-22)16(17,18)19/h2-6,11-12H,7-8H2,1H3,(H2,20,23)/t11-,12-/m1/s1
InChIKeyMFLBTDITZHFGLB-VXGBXAGGSA-N
MW339.32 g/mol
LogP2.34
Rot. Bonds3

About (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide

(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120923437) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120923437
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc2nc(N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)ccc2c1
InChIInChI=1S/C16H16F3N3O2/c1-24-10-3-4-13-9(6-10)2-5-14(21-13)22-7-11(15(20)23)12(8-22)16(17,18)19/h2-6,11-12H,7-8H2,1H3,(H2,20,23)/t11-,12-/m1/s1
InChIKeyMFLBTDITZHFGLB-VXGBXAGGSA-N
XLogP2.34
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-(6-methoxyquinolin-2-yl)azetidine-3-carboxamide
CID 171328605
(3S,4S)-1-quinolin-2-yl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064088
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
6-methoxy-2-piperidin-1-ylquinoline
CID 143398989
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
[4-(6-methoxyquinolin-2-yl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 163346353
6-methoxy-2-[3-(2-methylbenzimidazol-1-yl)azetidin-1-yl]quinoline
CID 163352569
(3S,4S)-1-(2-fluoro-4-methoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950371
N-cyclobutyl-2-[1-(6-methoxyquinolin-2-yl)piperidin-4-yl]acetamide
CID 172881536
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
N-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]methanesulfonamide
CID 163354804
(3S,4S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063598

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120923437) is (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is COc1ccc2nc(N3C[C@@H](C(F)(F)F)[C@H](C(N)=O)C3)ccc2c1.
What is the InChIKey of (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is MFLBTDITZHFGLB-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-10-3-4-13-9(6-10)2-5-14(21-13)22-7-11(15(20)23)12(8-22)16(17,18)19/h2-6,11-12H,7-8H2,1H3,(H2,20,23)/t11-,12-/m1/s1.
What are the key properties of (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide?
(3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(6-methoxyquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120923437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).