3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

C21H24N4O2 — CID 134705697

IUPAC3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1ccn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-10-25(24-15)11-8-21(26)23-20-14-27-13-17(20)12-16-6-9-22-19-5-3-2-4-18(16)19/h2-7,9-10,17,20H,8,11-14H2,1H3,(H,23,26)/t17-,20+/m1/s1
InChIKeyOPVITHJSAVVQFK-XLIONFOSSA-N
MW364.45 g/mol
LogP2.50
Rot. Bonds6

About 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (PubChem CID 134705697) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
PubChem CID134705697
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
SMILESCc1ccn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C21H24N4O2/c1-15-7-10-25(24-15)11-8-21(26)23-20-14-27-13-17(20)12-16-6-9-22-19-5-3-2-4-18(16)19/h2-7,9-10,17,20H,8,11-14H2,1H3,(H,23,26)/t17-,20+/m1/s1
InChIKeyOPVITHJSAVVQFK-XLIONFOSSA-N
XLogP2.50
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-3-(1,2,4-triazol-4-yl)propanamide
CID 134707067
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
3-(methanesulfonamido)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135107135
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
3-(2-fluorophenyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134701669
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
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
3-pyrazin-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 156584575
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide (CID 134705697) is 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is Cc1ccn(CCC(=O)N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
The InChIKey is OPVITHJSAVVQFK-XLIONFOSSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-10-25(24-15)11-8-21(26)23-20-14-27-13-17(20)12-16-6-9-22-19-5-3-2-4-18(16)19/h2-7,9-10,17,20H,8,11-14H2,1H3,(H,23,26)/t17-,20+/m1/s1.
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide?
3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide is sourced from PubChem (CID 134705697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).