N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine

C17H23N3O — CID 23433978

IUPACN-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
SMILESCOCCNc1ccc2c(N3CCCC3)cc(C)nc2c1
InChIInChI=1S/C17H23N3O/c1-13-11-17(20-8-3-4-9-20)15-6-5-14(12-16(15)19-13)18-7-10-21-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyPUGNUYFTTRBIIV-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.20
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine

N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine (PubChem CID 23433978) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
PubChem CID23433978
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine
SMILESCOCCNc1ccc2c(N3CCCC3)cc(C)nc2c1
InChIInChI=1S/C17H23N3O/c1-13-11-17(20-8-3-4-9-20)15-6-5-14(12-16(15)19-13)18-7-10-21-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3
InChIKeyPUGNUYFTTRBIIV-UHFFFAOYSA-N
XLogP3.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine (CID 23433978) is N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine is COCCNc1ccc2c(N3CCCC3)cc(C)nc2c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine?
The InChIKey is PUGNUYFTTRBIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-17(20-8-3-4-9-20)15-6-5-14(12-16(15)19-13)18-7-10-21-2/h5-6,11-12,18H,3-4,7-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine?
N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine has a molecular weight of 285.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-4-pyrrolidin-1-ylquinolin-7-amine is sourced from PubChem (CID 23433978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).