N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

C19H21N3O3 — CID 166420208

IUPACN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C19H21N3O3/c1-3-17(23)22-10-6-9-16(22)18(24)20-12-14-11-13-7-4-5-8-15(13)21(2)19(14)25/h3-5,7-8,11,16H,1,6,9-10,12H2,2H3,(H,20,24)
InChIKeyQYRISRDLZDDFAA-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.33
Rot. Bonds4

About N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 166420208) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID166420208
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCc1cc2ccccc2n(C)c1=O
InChIInChI=1S/C19H21N3O3/c1-3-17(23)22-10-6-9-16(22)18(24)20-12-14-11-13-7-4-5-8-15(13)21(2)19(14)25/h3-5,7-8,11,16H,1,6,9-10,12H2,2H3,(H,20,24)
InChIKeyQYRISRDLZDDFAA-UHFFFAOYSA-N
XLogP1.33
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-3-propan-2-ylpiperidine-1-carboxamide
CID 154780356
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166404475
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166411006
4-[(1-methyl-2-oxoquinolin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122015078
1-N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 154796285
N-[(1-methylindol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110371599
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-[2-(hydroxymethyl)-3-[2-(trifluoromethyl)phenyl]propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166421115
N-[3-(3-fluorophenoxy)propyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410978
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410994
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 172889076

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 166420208) is N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1C(=O)NCc1cc2ccccc2n(C)c1=O.
What is the InChIKey of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is QYRISRDLZDDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-17(23)22-10-6-9-16(22)18(24)20-12-14-11-13-7-4-5-8-15(13)21(2)19(14)25/h3-5,7-8,11,16H,1,6,9-10,12H2,2H3,(H,20,24).
What are the key properties of N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166420208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).