1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine

C33H30N4O3 — CID 132527791

IUPAC1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine
SMILESCOc1ccc2nc(CN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C33H30N4O3/c1-38-28-10-13-31-22(16-28)4-7-25(34-31)19-37(20-26-8-5-23-17-29(39-2)11-14-32(23)35-26)21-27-9-6-24-18-30(40-3)12-15-33(24)36-27/h4-18H,19-21H2,1-3H3
InChIKeyCIMKCSSTYIHQFW-UHFFFAOYSA-N
MW530.63 g/mol
LogP6.56
Rot. Bonds9

About 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine

1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine (PubChem CID 132527791) has the molecular formula C33H30N4O3 and a molecular weight of 530.63 g/mol. Its IUPAC name is 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine
PubChem CID132527791
Molecular FormulaC33H30N4O3
Molecular Weight530.63 g/mol
Exact Mass530.23
IUPAC Name1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine
SMILESCOc1ccc2nc(CN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C33H30N4O3/c1-38-28-10-13-31-22(16-28)4-7-25(34-31)19-37(20-26-8-5-23-17-29(39-2)11-14-32(23)35-26)21-27-9-6-24-18-30(40-3)12-15-33(24)36-27/h4-18H,19-21H2,1-3H3
InChIKeyCIMKCSSTYIHQFW-UHFFFAOYSA-N
XLogP6.56
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.63
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine with MolForge

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Related Compounds

7-Methoxytacrine
CID 119053
9-Amino-2-methoxyacridine
CID 18867
Acridine, 9-(p-anisidino)-
CID 43640
5-Fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)Quinoline
CID 12004142
N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
6-Methoxyquinaldine
CID 70648
6-methoxy-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-4-amine
CID 1070294
1-Benzyl-6-methoxy-4-methylquinolinium chloride
CID 2834440
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine?
The IUPAC name of 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine (CID 132527791) is 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine is COc1ccc2nc(CN(Cc3ccc4cc(OC)ccc4n3)Cc3ccc4cc(OC)ccc4n3)ccc2c1.
What is the InChIKey of 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine?
The InChIKey is CIMKCSSTYIHQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N4O3/c1-38-28-10-13-31-22(16-28)4-7-25(34-31)19-37(20-26-8-5-23-17-29(39-2)11-14-32(23)35-26)21-27-9-6-24-18-30(40-3)12-15-33(24)36-27/h4-18H,19-21H2,1-3H3.
What are the key properties of 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine?
1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine has a molecular weight of 530.63 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinolin-2-yl)-N,N-bis[(6-methoxyquinolin-2-yl)methyl]methanamine is sourced from PubChem (CID 132527791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).