4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide

C31H35N3O4 — CID 45488913

IUPAC4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide
SMILESCOc1ccc(C(=O)N(CCCC(C)Nc2cc(OC)cc3cccnc23)Cc2ccccc2OC)cc1
InChIInChI=1S/C31H35N3O4/c1-22(33-28-20-27(37-3)19-24-11-7-17-32-30(24)28)9-8-18-34(21-25-10-5-6-12-29(25)38-4)31(35)23-13-15-26(36-2)16-14-23/h5-7,10-17,19-20,22,33H,8-9,18,21H2,1-4H3
InChIKeyXDNRTNLGQAGFSB-UHFFFAOYSA-N
MW513.64 g/mol
LogP6.18
Rot. Bonds12

About 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide

4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide (PubChem CID 45488913) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide
PubChem CID45488913
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC Name4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide
SMILESCOc1ccc(C(=O)N(CCCC(C)Nc2cc(OC)cc3cccnc23)Cc2ccccc2OC)cc1
InChIInChI=1S/C31H35N3O4/c1-22(33-28-20-27(37-3)19-24-11-7-17-32-30(24)28)9-8-18-34(21-25-10-5-6-12-29(25)38-4)31(35)23-13-15-26(36-2)16-14-23/h5-7,10-17,19-20,22,33H,8-9,18,21H2,1-4H3
InChIKeyXDNRTNLGQAGFSB-UHFFFAOYSA-N
XLogP6.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide (CID 45488913) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide is COc1ccc(C(=O)N(CCCC(C)Nc2cc(OC)cc3cccnc23)Cc2ccccc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide?
The InChIKey is XDNRTNLGQAGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-22(33-28-20-27(37-3)19-24-11-7-17-32-30(24)28)9-8-18-34(21-25-10-5-6-12-29(25)38-4)31(35)23-13-15-26(36-2)16-14-23/h5-7,10-17,19-20,22,33H,8-9,18,21H2,1-4H3.
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide has a molecular weight of 513.64 g/mol, XLogP of 6.18, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]benzamide is sourced from PubChem (CID 45488913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).