N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine

C20H22ClN3O — CID 46954062

IUPACN-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN3O/c1-25-12-4-11-24(15-18-5-2-3-9-22-18)14-16-8-10-23-20-7-6-17(21)13-19(16)20/h2-3,5-10,13H,4,11-12,14-15H2,1H3
InChIKeyGBDCNMLGSYMKLQ-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.32
Rot. Bonds8

About N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine

N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46954062) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46954062
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOCCCN(Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12
InChIInChI=1S/C20H22ClN3O/c1-25-12-4-11-24(15-18-5-2-3-9-22-18)14-16-8-10-23-20-7-6-17(21)13-19(16)20/h2-3,5-10,13H,4,11-12,14-15H2,1H3
InChIKeyGBDCNMLGSYMKLQ-UHFFFAOYSA-N
XLogP4.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.32
H-Bond Donors ≤ 50
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-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46954062) is N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine is COCCCN(Cc1ccccn1)Cc1ccnc2ccc(Cl)cc12.
What is the InChIKey of N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is GBDCNMLGSYMKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-25-12-4-11-24(15-18-5-2-3-9-22-18)14-16-8-10-23-20-7-6-17(21)13-19(16)20/h2-3,5-10,13H,4,11-12,14-15H2,1H3.
What are the key properties of N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine?
N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 355.87 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroquinolin-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46954062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).