(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

C21H25N3O3 — CID 163309665

IUPAC(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESCc1ccc2cc(CN3C[C@@H]4COC(=O)[C@@H]4C3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H25N3O3/c1-14-2-3-15-9-16(10-23-11-17-13-27-21(25)18(17)12-23)20(22-19(15)8-14)24-4-6-26-7-5-24/h2-3,8-9,17-18H,4-7,10-13H2,1H3/t17-,18-/m1/s1
InChIKeyRMWRYGCMVNLIFP-QZTJIDSGSA-N
MW367.45 g/mol
LogP1.98
Rot. Bonds3

About (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one

(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (PubChem CID 163309665) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.

Molecular Properties

Compound Name(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
PubChem CID163309665
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
SMILESCc1ccc2cc(CN3C[C@@H]4COC(=O)[C@@H]4C3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C21H25N3O3/c1-14-2-3-15-9-16(10-23-11-17-13-27-21(25)18(17)12-23)20(22-19(15)8-14)24-4-6-26-7-5-24/h2-3,8-9,17-18H,4-7,10-13H2,1H3/t17-,18-/m1/s1
InChIKeyRMWRYGCMVNLIFP-QZTJIDSGSA-N
XLogP1.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 164690368
(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316569
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
1-[(3R,4R)-4-hydroxy-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698083
1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
CID 131914391
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
CID 56722426
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
CID 134704805
(5E)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1227121
1,3-dimethyl-4-(7-methyl-2-morpholin-4-ylquinolin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169422291
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
(3aR,5R,6R,7aS)-6-(dimethylamino)-2-[3-(hydroxymethyl)-7-methylquinolin-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175642375

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The IUPAC name of (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one (CID 163309665) is (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one.
What is the SMILES notation for (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The canonical SMILES for (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is Cc1ccc2cc(CN3C[C@@H]4COC(=O)[C@@H]4C3)c(N3CCOCC3)nc2c1.
What is the InChIKey of (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
The InChIKey is RMWRYGCMVNLIFP-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-2-3-15-9-16(10-23-11-17-13-27-21(25)18(17)12-23)20(22-19(15)8-14)24-4-6-26-7-5-24/h2-3,8-9,17-18H,4-7,10-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one?
(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one has a molecular weight of 367.45 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one is sourced from PubChem (CID 163309665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).