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

C28H24Cl2N4 — CID 162643348

IUPACN,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(C)ccc4nc3Cl)cc2c1
InChIInChI=1S/C28H24Cl2N4/c1-18-6-8-25-20(11-18)13-22(27(29)32-25)15-34(17-24-5-3-4-10-31-24)16-23-14-21-12-19(2)7-9-26(21)33-28(23)30/h3-14H,15-17H2,1-2H3
InChIKeyVEJLZLAADLQHSB-UHFFFAOYSA-N
MW487.43 g/mol
LogP7.30
Rot. Bonds6

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

N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162643348) has the molecular formula C28H24Cl2N4 and a molecular weight of 487.43 g/mol. Its IUPAC name is N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162643348
Molecular FormulaC28H24Cl2N4
Molecular Weight487.43 g/mol
Exact Mass486.14
IUPAC NameN,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(C)ccc4nc3Cl)cc2c1
InChIInChI=1S/C28H24Cl2N4/c1-18-6-8-25-20(11-18)13-22(27(29)32-25)15-34(17-24-5-3-4-10-31-24)16-23-14-21-12-19(2)7-9-26(21)33-28(23)30/h3-14H,15-17H2,1-2H3
InChIKeyVEJLZLAADLQHSB-UHFFFAOYSA-N
XLogP7.30
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 57.30
H-Bond Donors ≤ 50
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 N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162643348) is N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is Cc1ccc2nc(Cl)c(CN(Cc3ccccn3)Cc3cc4cc(C)ccc4nc3Cl)cc2c1.
What is the InChIKey of N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is VEJLZLAADLQHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N4/c1-18-6-8-25-20(11-18)13-22(27(29)32-25)15-34(17-24-5-3-4-10-31-24)16-23-14-21-12-19(2)7-9-26(21)33-28(23)30/h3-14H,15-17H2,1-2H3.
What are the key properties of N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 487.43 g/mol, XLogP of 7.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(2-chloro-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162643348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).