N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

C28H24Cl2N4O2 — CID 162675017

IUPACN,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3Cl)cc2c1
InChIInChI=1S/C28H24Cl2N4O2/c1-35-23-6-8-25-18(13-23)11-20(27(29)32-25)15-34(17-22-5-3-4-10-31-22)16-21-12-19-14-24(36-2)7-9-26(19)33-28(21)30/h3-14H,15-17H2,1-2H3
InChIKeyPMFWCZAHLXXZMQ-UHFFFAOYSA-N
MW519.43 g/mol
LogP6.70
Rot. Bonds8

About N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine

N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162675017) has the molecular formula C28H24Cl2N4O2 and a molecular weight of 519.43 g/mol. Its IUPAC name is N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162675017
Molecular FormulaC28H24Cl2N4O2
Molecular Weight519.43 g/mol
Exact Mass518.13
IUPAC NameN,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3Cl)cc2c1
InChIInChI=1S/C28H24Cl2N4O2/c1-35-23-6-8-25-18(13-23)11-20(27(29)32-25)15-34(17-22-5-3-4-10-31-22)16-21-12-19-14-24(36-2)7-9-26(19)33-28(21)30/h3-14H,15-17H2,1-2H3
InChIKeyPMFWCZAHLXXZMQ-UHFFFAOYSA-N
XLogP6.70
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.43
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162675017) is N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is COc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(OC)ccc4nc3Cl)cc2c1.
What is the InChIKey of N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is PMFWCZAHLXXZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4O2/c1-35-23-6-8-25-18(13-23)11-20(27(29)32-25)15-34(17-22-5-3-4-10-31-22)16-21-12-19-14-24(36-2)7-9-26(19)33-28(21)30/h3-14H,15-17H2,1-2H3.
What are the key properties of N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 519.43 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-chloro-6-methoxyquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162675017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).