2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine

C22H31N3O — CID 45488851

IUPAC2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine
SMILESCc1cccc2cc(CNC3CCOC(C)(C)C3)c(N3CCCC3)nc12
InChIInChI=1S/C22H31N3O/c1-16-7-6-8-17-13-18(15-23-19-9-12-26-22(2,3)14-19)21(24-20(16)17)25-10-4-5-11-25/h6-8,13,19,23H,4-5,9-12,14-15H2,1-3H3
InChIKeyDNERQJFTJKJJPF-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.19
Rot. Bonds4

About 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine

2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine (PubChem CID 45488851) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine
PubChem CID45488851
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine
SMILESCc1cccc2cc(CNC3CCOC(C)(C)C3)c(N3CCCC3)nc12
InChIInChI=1S/C22H31N3O/c1-16-7-6-8-17-13-18(15-23-19-9-12-26-22(2,3)14-19)21(24-20(16)17)25-10-4-5-11-25/h6-8,13,19,23H,4-5,9-12,14-15H2,1-3H3
InChIKeyDNERQJFTJKJJPF-UHFFFAOYSA-N
XLogP4.19
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine?
The IUPAC name of 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine (CID 45488851) is 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine is Cc1cccc2cc(CNC3CCOC(C)(C)C3)c(N3CCCC3)nc12.
What is the InChIKey of 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine?
The InChIKey is DNERQJFTJKJJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16-7-6-8-17-13-18(15-23-19-9-12-26-22(2,3)14-19)21(24-20(16)17)25-10-4-5-11-25/h6-8,13,19,23H,4-5,9-12,14-15H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine?
2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine has a molecular weight of 353.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(8-methyl-2-pyrrolidin-1-ylquinolin-3-yl)methyl]oxan-4-amine is sourced from PubChem (CID 45488851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).