3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide

C29H31N5O4 — CID 166515151

IUPAC3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
SMILESCOc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C29H31N5O4/c1-34-12-10-19(11-13-34)17-37-27-16-25-24(15-26(27)36-2)29(32-18-31-25)33-21-6-8-22(9-7-21)38-23-5-3-4-20(14-23)28(30)35/h3-9,14-16,18-19H,10-13,17H2,1-2H3,(H2,30,35)(H,31,32,33)
InChIKeyZPYHFILANKQLHP-UHFFFAOYSA-N
MW513.60 g/mol
LogP4.99
Rot. Bonds9

About 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide

3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide (PubChem CID 166515151) has the molecular formula C29H31N5O4 and a molecular weight of 513.60 g/mol. Its IUPAC name is 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide.

Molecular Properties

Compound Name3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
PubChem CID166515151
Molecular FormulaC29H31N5O4
Molecular Weight513.60 g/mol
Exact Mass513.24
IUPAC Name3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
SMILESCOc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C29H31N5O4/c1-34-12-10-19(11-13-34)17-37-27-16-25-24(15-26(27)36-2)29(32-18-31-25)33-21-6-8-22(9-7-21)38-23-5-3-4-20(14-23)28(30)35/h3-9,14-16,18-19H,10-13,17H2,1-2H3,(H2,30,35)(H,31,32,33)
InChIKeyZPYHFILANKQLHP-UHFFFAOYSA-N
XLogP4.99
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.60
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
CID 54546578
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 68738104
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
CID 166515218
1-[3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]phenyl]-2-piperidin-1-ylethanone
CID 69051856
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
2-(2-aminoethyl)-1-(2,6-dimethylphenyl)-3-[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]guanidine
CID 22243855
2-[3-(4-aminophenoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-chloro-6,7-dimethoxyquinazoline;2-[3-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 161132283
2-(2-fluoro-4-phenoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 175809823

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide?
The IUPAC name of 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide (CID 166515151) is 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide.
What is the SMILES notation for 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide?
The canonical SMILES for 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide is COc1cc2c(Nc3ccc(Oc4cccc(C(N)=O)c4)cc3)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide?
The InChIKey is ZPYHFILANKQLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O4/c1-34-12-10-19(11-13-34)17-37-27-16-25-24(15-26(27)36-2)29(32-18-31-25)33-21-6-8-22(9-7-21)38-23-5-3-4-20(14-23)28(30)35/h3-9,14-16,18-19H,10-13,17H2,1-2H3,(H2,30,35)(H,31,32,33).
What are the key properties of 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide?
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide has a molecular weight of 513.60 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide is sourced from PubChem (CID 166515151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).