(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide

C18H23N3O2 — CID 70810642

IUPAC(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
SMILESCO[C@@H](C1CCCN1)[C@@H](C)C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-12(17(23-2)15-8-5-11-19-15)18(22)21-16-10-9-13-6-3-4-7-14(13)20-16/h3-4,6-7,9-10,12,15,17,19H,5,8,11H2,1-2H3,(H,20,21,22)/t12-,15?,17-/m1/s1
InChIKeyUVQRKUUINFYULK-XURPUJGUSA-N
MW313.40 g/mol
LogP2.58
Rot. Bonds5

About (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide

(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide (PubChem CID 70810642) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
PubChem CID70810642
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
SMILESCO[C@@H](C1CCCN1)[C@@H](C)C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C18H23N3O2/c1-12(17(23-2)15-8-5-11-19-15)18(22)21-16-10-9-13-6-3-4-7-14(13)20-16/h3-4,6-7,9-10,12,15,17,19H,5,8,11H2,1-2H3,(H,20,21,22)/t12-,15?,17-/m1/s1
InChIKeyUVQRKUUINFYULK-XURPUJGUSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide?
The IUPAC name of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide (CID 70810642) is (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide.
What is the SMILES notation for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide?
The canonical SMILES for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide is CO[C@@H](C1CCCN1)[C@@H](C)C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide?
The InChIKey is UVQRKUUINFYULK-XURPUJGUSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(17(23-2)15-8-5-11-19-15)18(22)21-16-10-9-13-6-3-4-7-14(13)20-16/h3-4,6-7,9-10,12,15,17,19H,5,8,11H2,1-2H3,(H,20,21,22)/t12-,15?,17-/m1/s1.
What are the key properties of (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide?
(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide is sourced from PubChem (CID 70810642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).