1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine

C19H24ClN3O — CID 169284640

IUPAC1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
SMILESCc1cccc2cc(CNCC3(N4CCCC4)COC3)c(Cl)nc12
InChIInChI=1S/C19H24ClN3O/c1-14-5-4-6-15-9-16(18(20)22-17(14)15)10-21-11-19(12-24-13-19)23-7-2-3-8-23/h4-6,9,21H,2-3,7-8,10-13H2,1H3
InChIKeyZTLPEDILUSNOTM-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine

1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine (PubChem CID 169284640) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
PubChem CID169284640
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine
SMILESCc1cccc2cc(CNCC3(N4CCCC4)COC3)c(Cl)nc12
InChIInChI=1S/C19H24ClN3O/c1-14-5-4-6-15-9-16(18(20)22-17(14)15)10-21-11-19(12-24-13-19)23-7-2-3-8-23/h4-6,9,21H,2-3,7-8,10-13H2,1H3
InChIKeyZTLPEDILUSNOTM-UHFFFAOYSA-N
XLogP3.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine (CID 169284640) is 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine is Cc1cccc2cc(CNCC3(N4CCCC4)COC3)c(Cl)nc12.
What is the InChIKey of 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
The InChIKey is ZTLPEDILUSNOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-5-4-6-15-9-16(18(20)22-17(14)15)10-21-11-19(12-24-13-19)23-7-2-3-8-23/h4-6,9,21H,2-3,7-8,10-13H2,1H3.
What are the key properties of 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine?
1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine has a molecular weight of 345.87 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-8-methylquinolin-3-yl)-N-[(3-pyrrolidin-1-yloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 169284640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).