(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide

C18H23N3O2 — CID 124906654

IUPAC(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCUKCNWRQDONIRL-CYBMUJFWSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds4

About (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide

(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 124906654) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID124906654
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1
InChIInChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyCUKCNWRQDONIRL-CYBMUJFWSA-N
XLogP1.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide (CID 124906654) is (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@@H]1CCN(Cc2cc(=O)c3cc(C)ccc3[nH]2)C1.
What is the InChIKey of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is CUKCNWRQDONIRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-19-18(23)13-6-7-21(10-13)11-14-9-17(22)15-8-12(2)4-5-16(15)20-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 124906654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).