(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide

C17H21N3O2 — CID 91838589

IUPAC(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c2c(=O)cc(CN3CCC[C@@H]3C(N)=O)[nH]c12
InChIInChI=1S/C17H21N3O2/c1-10-5-6-11(2)16-15(10)14(21)8-12(19-16)9-20-7-3-4-13(20)17(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1
InChIKeyMIHMKCVGJBMORU-CYBMUJFWSA-N
MW299.37 g/mol
LogP1.59
Rot. Bonds3

About (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 91838589) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID91838589
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(C)c2c(=O)cc(CN3CCC[C@@H]3C(N)=O)[nH]c12
InChIInChI=1S/C17H21N3O2/c1-10-5-6-11(2)16-15(10)14(21)8-12(19-16)9-20-7-3-4-13(20)17(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1
InChIKeyMIHMKCVGJBMORU-CYBMUJFWSA-N
XLogP1.59
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide (CID 91838589) is (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1ccc(C)c2c(=O)cc(CN3CCC[C@@H]3C(N)=O)[nH]c12.
What is the InChIKey of (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MIHMKCVGJBMORU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-10-5-6-11(2)16-15(10)14(21)8-12(19-16)9-20-7-3-4-13(20)17(18)22/h5-6,8,13H,3-4,7,9H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91838589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).