2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide

C20H27N3O2 — CID 137423937

IUPAC2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C[C@@H](C)[C@@H](NC(=O)C(O)C(C)C)C2)c2cccnc12
InChIInChI=1S/C20H27N3O2/c1-12(2)19(24)20(25)22-16-11-23(10-14(16)4)17-8-7-13(3)18-15(17)6-5-9-21-18/h5-9,12,14,16,19,24H,10-11H2,1-4H3,(H,22,25)/t14-,16+,19?/m1/s1
InChIKeyHKTUFHMQPGWCEO-ZMWCROOCSA-N
MW341.46 g/mol
LogP2.50
Rot. Bonds4

About 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide

2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide (PubChem CID 137423937) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide
PubChem CID137423937
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide
SMILESCc1ccc(N2C[C@@H](C)[C@@H](NC(=O)C(O)C(C)C)C2)c2cccnc12
InChIInChI=1S/C20H27N3O2/c1-12(2)19(24)20(25)22-16-11-23(10-14(16)4)17-8-7-13(3)18-15(17)6-5-9-21-18/h5-9,12,14,16,19,24H,10-11H2,1-4H3,(H,22,25)/t14-,16+,19?/m1/s1
InChIKeyHKTUFHMQPGWCEO-ZMWCROOCSA-N
XLogP2.50
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide with MolForge

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Related Compounds

2-(4-fluoropiperidin-4-yl)-N-[4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]acetamide
CID 142520357
2-hydroxy-N-[(3R,5S)-1-(8-methoxyquinolin-5-yl)-5-methylpiperidin-3-yl]-3-methylbutanamide
CID 166770237
(2S)-N-[(3R,5S)-1-(8-cyanoquinolin-5-yl)-5-methylpiperidin-3-yl]-2-hydroxy-3-methylbutanamide
CID 121411608
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158
2-(1-methylpyrrolidin-3-yl)-N-[(4R)-4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-yl]acetamide
CID 142520349
2-amino-N-[(3R,5S)-1-[8-[amino(hydroxy)methyl]quinolin-5-yl]-5-methylpiperidin-3-yl]-3,3,3-trifluoropropanamide
CID 166776913
N-[[6-methyl-4-(8-methylquinolin-5-yl)morpholin-2-yl]methyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 146329598
2-(3-aminoazetidin-1-yl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 129241455
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
CID 167781078
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168659792
1-[(3R)-5,5-difluoro-1-(8-methylquinolin-5-yl)piperidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)propan-2-one
CID 160622024
N-[(3R,5S)-5-(1,1-difluoroethyl)-1-(8-methylquinolin-5-yl)piperidin-3-yl]-2-(1-methylpiperidin-4-yl)acetamide
CID 170237844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide (CID 137423937) is 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide is Cc1ccc(N2C[C@@H](C)[C@@H](NC(=O)C(O)C(C)C)C2)c2cccnc12.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide?
The InChIKey is HKTUFHMQPGWCEO-ZMWCROOCSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-12(2)19(24)20(25)22-16-11-23(10-14(16)4)17-8-7-13(3)18-15(17)6-5-9-21-18/h5-9,12,14,16,19,24H,10-11H2,1-4H3,(H,22,25)/t14-,16+,19?/m1/s1.
What are the key properties of 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide?
2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide has a molecular weight of 341.46 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(3R,4R)-4-methyl-1-(8-methylquinolin-5-yl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 137423937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).