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

C30H30N4O2 — CID 162658663

IUPACN,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CN(Cc1ccccn1)Cc1cc2cc(C)ccc2nc1OC
InChIInChI=1S/C30H30N4O2/c1-20-8-10-27-22(13-20)15-24(29(32-27)35-3)17-34(19-26-7-5-6-12-31-26)18-25-16-23-14-21(2)9-11-28(23)33-30(25)36-4/h5-16H,17-19H2,1-4H3
InChIKeyGMSYTSUSEDOOFA-UHFFFAOYSA-N
MW478.60 g/mol
LogP6.01
Rot. Bonds8

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

N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 162658663) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID162658663
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCOc1nc2ccc(C)cc2cc1CN(Cc1ccccn1)Cc1cc2cc(C)ccc2nc1OC
InChIInChI=1S/C30H30N4O2/c1-20-8-10-27-22(13-20)15-24(29(32-27)35-3)17-34(19-26-7-5-6-12-31-26)18-25-16-23-14-21(2)9-11-28(23)33-30(25)36-4/h5-16H,17-19H2,1-4H3
InChIKeyGMSYTSUSEDOOFA-UHFFFAOYSA-N
XLogP6.01
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine (CID 162658663) is N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is COc1nc2ccc(C)cc2cc1CN(Cc1ccccn1)Cc1cc2cc(C)ccc2nc1OC.
What is the InChIKey of N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is GMSYTSUSEDOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c1-20-8-10-27-22(13-20)15-24(29(32-27)35-3)17-34(19-26-7-5-6-12-31-26)18-25-16-23-14-21(2)9-11-28(23)33-30(25)36-4/h5-16H,17-19H2,1-4H3.
What are the key properties of N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine?
N,N-bis[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 478.60 g/mol, XLogP of 6.01, 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-methoxy-6-methylquinolin-3-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 162658663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).