1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

C19H25N3O2 — CID 133132253

IUPAC1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCCC[C@@H]1CN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C[C@H]1N
InChIInChI=1S/C19H25N3O2/c1-3-6-14-10-21(11-16(14)20)19(24)12-22-13(2)9-18(23)15-7-4-5-8-17(15)22/h4-5,7-9,14,16H,3,6,10-12,20H2,1-2H3/t14-,16-/m1/s1
InChIKeyZDCRHOOTUIRYQM-GDBMZVCRSA-N
MW327.43 g/mol
LogP1.90
Rot. Bonds4

About 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one

1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (PubChem CID 133132253) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.

Molecular Properties

Compound Name1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
PubChem CID133132253
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
SMILESCCC[C@@H]1CN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C[C@H]1N
InChIInChI=1S/C19H25N3O2/c1-3-6-14-10-21(11-16(14)20)19(24)12-22-13(2)9-18(23)15-7-4-5-8-17(15)22/h4-5,7-9,14,16H,3,6,10-12,20H2,1-2H3/t14-,16-/m1/s1
InChIKeyZDCRHOOTUIRYQM-GDBMZVCRSA-N
XLogP1.90
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one with MolForge

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Related Compounds

1-[2-[(3S,5R)-3-amino-5-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 154566626
2-methyl-1-[2-(3-morpholin-4-ylazetidin-1-yl)-2-oxoethyl]quinolin-4-one
CID 91763003
1-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 72884888
1-[2-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-methylquinolin-4-one
CID 70775292
1-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145566
1-[2-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one
CID 97145565
(1S,5R)-3-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135101065
(5S)-7-methyl-2-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97146209
2-methyl-1-[2-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 91780645
1-[3-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
CID 133121133
(5R)-3-methyl-9-[2-(2-methyl-4-oxoquinolin-1-yl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 97280518
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-(N-methylanilino)ethanone
CID 133133321

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The IUPAC name of 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one (CID 133132253) is 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one.
What is the SMILES notation for 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The canonical SMILES for 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is CCC[C@@H]1CN(C(=O)Cn2c(C)cc(=O)c3ccccc32)C[C@H]1N.
What is the InChIKey of 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
The InChIKey is ZDCRHOOTUIRYQM-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-3-6-14-10-21(11-16(14)20)19(24)12-22-13(2)9-18(23)15-7-4-5-8-17(15)22/h4-5,7-9,14,16H,3,6,10-12,20H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one?
1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-2-oxoethyl]-2-methylquinolin-4-one is sourced from PubChem (CID 133132253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).