1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide

C19H19N3O3 — CID 90579860

IUPAC1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC#CCOc2cccc3cccnc23)CC1=O
InChIInChI=1S/C19H19N3O3/c1-22-13-15(12-17(22)23)19(24)21-9-2-3-11-25-16-8-4-6-14-7-5-10-20-18(14)16/h4-8,10,15H,9,11-13H2,1H3,(H,21,24)
InChIKeyFFMVDHHANVOTIV-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.21
Rot. Bonds4

About 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide

1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide (PubChem CID 90579860) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide
PubChem CID90579860
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCC#CCOc2cccc3cccnc23)CC1=O
InChIInChI=1S/C19H19N3O3/c1-22-13-15(12-17(22)23)19(24)21-9-2-3-11-25-16-8-4-6-14-7-5-10-20-18(14)16/h4-8,10,15H,9,11-13H2,1H3,(H,21,24)
InChIKeyFFMVDHHANVOTIV-UHFFFAOYSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-yloxybut-2-ynyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90578157
N-(4-quinolin-8-yloxybut-2-ynyl)-9H-xanthene-9-carboxamide
CID 90579776
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
4-phenyl-N-(4-quinolin-8-yloxybut-2-ynyl)butanamide
CID 90579761
1-(3,5-difluorophenyl)-5-oxo-N-(3-quinolin-8-yloxypropyl)pyrrolidine-3-carboxamide
CID 56585634
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
2-indol-1-yl-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579587
1-[(4-methoxyphenyl)methyl]-3-(4-quinolin-8-yloxybut-2-ynyl)urea
CID 90579893
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide (CID 90579860) is 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide is CN1CC(C(=O)NCC#CCOc2cccc3cccnc23)CC1=O.
What is the InChIKey of 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide?
The InChIKey is FFMVDHHANVOTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-22-13-15(12-17(22)23)19(24)21-9-2-3-11-25-16-8-4-6-14-7-5-10-20-18(14)16/h4-8,10,15H,9,11-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide?
1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 90579860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).