N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide

C19H22FN3O3 — CID 166373582

IUPACN-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide
SMILESCC(CF)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C19H22FN3O3/c1-12(9-20)19(26)23-11-16(24)8-15(23)10-22-18(25)14-5-4-13-3-2-6-21-17(13)7-14/h2-7,12,15-16,24H,8-11H2,1H3,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyYCBQYLMONCZNCF-XHAYOOOLSA-N
MW359.40 g/mol
LogP1.53
Rot. Bonds5

About N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide

N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide (PubChem CID 166373582) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide
PubChem CID166373582
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide
SMILESCC(CF)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)c1ccc2cccnc2c1
InChIInChI=1S/C19H22FN3O3/c1-12(9-20)19(26)23-11-16(24)8-15(23)10-22-18(25)14-5-4-13-3-2-6-21-17(13)7-14/h2-7,12,15-16,24H,8-11H2,1H3,(H,22,25)/t12?,15-,16-/m1/s1
InChIKeyYCBQYLMONCZNCF-XHAYOOOLSA-N
XLogP1.53
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)quinoline-7-carboxamide
CID 142187430
N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide
CID 166373542
3-fluoro-N-[[(2R,4R)-1-(3-fluorobenzoyl)-4-hydroxypyrrolidin-2-yl]methyl]benzamide
CID 166384043
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-ethylbutyl)quinoline-6-carboxamide
CID 115613111
N-(hydroxymethyl)-2-methylbutanamide;quinoline-7-carboxylic acid
CID 70237798
N-(3-amino-2-methyl-3-sulfanylidenepropyl)quinoline-6-carboxamide
CID 62851157
N-(3-amino-2-methylpropyl)quinoline-6-carboxamide
CID 55126976
N-[(S)-[3-[(1R)-2,2-dimethylcyclopropyl]-2-pyridinyl]-[4-(fluoromethyl)phenyl]methyl]quinoline-7-carboxamide
CID 90227617
N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide?
The IUPAC name of N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide (CID 166373582) is N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide.
What is the SMILES notation for N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide?
The canonical SMILES for N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide is CC(CF)C(=O)N1C[C@H](O)C[C@@H]1CNC(=O)c1ccc2cccnc2c1.
What is the InChIKey of N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide?
The InChIKey is YCBQYLMONCZNCF-XHAYOOOLSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12(9-20)19(26)23-11-16(24)8-15(23)10-22-18(25)14-5-4-13-3-2-6-21-17(13)7-14/h2-7,12,15-16,24H,8-11H2,1H3,(H,22,25)/t12?,15-,16-/m1/s1.
What are the key properties of N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide?
N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4R)-1-(3-fluoro-2-methylpropanoyl)-4-hydroxypyrrolidin-2-yl]methyl]quinoline-7-carboxamide is sourced from PubChem (CID 166373582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).