3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

C23H23FN2O2 — CID 134701669

IUPAC3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H23FN2O2/c24-20-7-3-1-5-16(20)9-10-23(27)26-22-15-28-14-18(22)13-17-11-12-25-21-8-4-2-6-19(17)21/h1-8,11-12,18,22H,9-10,13-15H2,(H,26,27)/t18-,22-/m1/s1
InChIKeyNJCFMJOKRMEYCL-XMSQKQJNSA-N
MW378.45 g/mol
LogP3.68
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 134701669) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID134701669
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESO=C(CCc1ccccc1F)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12
InChIInChI=1S/C23H23FN2O2/c24-20-7-3-1-5-16(20)9-10-23(27)26-22-15-28-14-18(22)13-17-11-12-25-21-8-4-2-6-19(17)21/h1-8,11-12,18,22H,9-10,13-15H2,(H,26,27)/t18-,22-/m1/s1
InChIKeyNJCFMJOKRMEYCL-XMSQKQJNSA-N
XLogP3.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 156584575
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135104245
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-4-sulfamoylbutanamide
CID 135087501
3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135107135
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705697
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (CID 134701669) is 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is O=C(CCc1ccccc1F)N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is NJCFMJOKRMEYCL-XMSQKQJNSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-7-3-1-5-16(20)9-10-23(27)26-22-15-28-14-18(22)13-17-11-12-25-21-8-4-2-6-19(17)21/h1-8,11-12,18,22H,9-10,13-15H2,(H,26,27)/t18-,22-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 134701669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).