N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide

C26H25N3O4 — CID 44532199

IUPACN-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccc(NC(C)=O)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H25N3O4/c1-17(30)28-19-6-4-18(5-7-19)16-33-21-10-8-20(9-11-21)29-23-12-13-27-24-15-26(32-3)25(31-2)14-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyLHQUBDDYTRQULS-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.53
Rot. Bonds8

About N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide

N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide (PubChem CID 44532199) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
PubChem CID44532199
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
SMILESCOc1cc2nccc(Nc3ccc(OCc4ccc(NC(C)=O)cc4)cc3)c2cc1OC
InChIInChI=1S/C26H25N3O4/c1-17(30)28-19-6-4-18(5-7-19)16-33-21-10-8-20(9-11-21)29-23-12-13-27-24-15-26(32-3)25(31-2)14-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyLHQUBDDYTRQULS-UHFFFAOYSA-N
XLogP5.53
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]-1,2,3,4-tetrahydro-1,2,4-triazine-6-carboxamide
CID 140884388
1-[2-[(6,7-dimethoxyquinolin-4-yl)amino]phenyl]ethanone
CID 53264744
6,7-dimethoxy-N-(4-naphthalen-2-yloxyphenyl)quinolin-4-amine
CID 166515203
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-[5-[(6,7-dimethoxyquinolin-4-yl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 22732263
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
N'-[6-[(6,7-dimethoxyquinolin-4-yl)amino]-3-pyridinyl]-N-(4-fluorophenyl)propanediamide
CID 118612193
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-[[3-[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]phenyl]methoxy]benzonitrile
CID 90071525
4-[(6,7-diethoxyquinolin-4-yl)amino]benzamide
CID 50877965
6,7-dimethoxy-4-methylquinoline;ethane;N-(3-fluoro-4-methylphenyl)acetamide
CID 143647657

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide (CID 44532199) is N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide is COc1cc2nccc(Nc3ccc(OCc4ccc(NC(C)=O)cc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide?
The InChIKey is LHQUBDDYTRQULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17(30)28-19-6-4-18(5-7-19)16-33-21-10-8-20(9-11-21)29-23-12-13-27-24-15-26(32-3)25(31-2)14-22(23)24/h4-15H,16H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide?
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide is sourced from PubChem (CID 44532199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).