N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide

C32H37N3O4 — CID 45488766

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide
SMILESCOc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C)c2ncccc2c1
InChIInChI=1S/C32H37N3O4/c1-22-10-6-7-13-27(22)32(36)35(21-24-14-15-29(38-4)30(18-24)39-5)17-9-11-23(2)34-28-20-26(37-3)19-25-12-8-16-33-31(25)28/h6-8,10,12-16,18-20,23,34H,9,11,17,21H2,1-5H3
InChIKeyLEHOSLVHHVPSSL-UHFFFAOYSA-N
MW527.67 g/mol
LogP6.49
Rot. Bonds12

About N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide

N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide (PubChem CID 45488766) has the molecular formula C32H37N3O4 and a molecular weight of 527.67 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide
PubChem CID45488766
Molecular FormulaC32H37N3O4
Molecular Weight527.67 g/mol
Exact Mass527.28
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide
SMILESCOc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C)c2ncccc2c1
InChIInChI=1S/C32H37N3O4/c1-22-10-6-7-13-27(22)32(36)35(21-24-14-15-29(38-4)30(18-24)39-5)17-9-11-23(2)34-28-20-26(37-3)19-25-12-8-16-33-31(25)28/h6-8,10,12-16,18-20,23,34H,9,11,17,21H2,1-5H3
InChIKeyLEHOSLVHHVPSSL-UHFFFAOYSA-N
XLogP6.49
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide (CID 45488766) is N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide is COc1cc(NC(C)CCCN(Cc2ccc(OC)c(OC)c2)C(=O)c2ccccc2C)c2ncccc2c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide?
The InChIKey is LEHOSLVHHVPSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O4/c1-22-10-6-7-13-27(22)32(36)35(21-24-14-15-29(38-4)30(18-24)39-5)17-9-11-23(2)34-28-20-26(37-3)19-25-12-8-16-33-31(25)28/h6-8,10,12-16,18-20,23,34H,9,11,17,21H2,1-5H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide has a molecular weight of 527.67 g/mol, XLogP of 6.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2-methylbenzamide is sourced from PubChem (CID 45488766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).