ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate

C26H32N4O4 — CID 54546578

IUPACethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(COc2cc3ncnc(Nc4cccc(C)c4)c3cc2OC)CC1
InChIInChI=1S/C26H32N4O4/c1-4-33-25(31)15-30-10-8-19(9-11-30)16-34-24-14-22-21(13-23(24)32-3)26(28-17-27-22)29-20-7-5-6-18(2)12-20/h5-7,12-14,17,19H,4,8-11,15-16H2,1-3H3,(H,27,28,29)
InChIKeyZGXYANDBNYRHAH-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.34
Rot. Bonds9

About ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate

ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate (PubChem CID 54546578) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
PubChem CID54546578
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Nameethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(COc2cc3ncnc(Nc4cccc(C)c4)c3cc2OC)CC1
InChIInChI=1S/C26H32N4O4/c1-4-33-25(31)15-30-10-8-19(9-11-30)16-34-24-14-22-21(13-23(24)32-3)26(28-17-27-22)29-20-7-5-6-18(2)12-20/h5-7,12-14,17,19H,4,8-11,15-16H2,1-3H3,(H,27,28,29)
InChIKeyZGXYANDBNYRHAH-UHFFFAOYSA-N
XLogP4.34
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate with MolForge

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Related Compounds

ethyl 2-[4-[3-[6-amino-4-(3-bromoanilino)quinazolin-7-yl]oxypropyl]piperidin-1-yl]acetate
CID 22269882
diethyl 3-[4-[3-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxypropyl]piperidin-1-yl]pentanedioate
CID 54208451
ethyl 2-[4-[2-[4-(3-bromoanilino)-6-cyclobutyloxyquinazolin-7-yl]oxyethyl]piperazin-1-yl]acetate
CID 54149290
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
ethyl 2-[4-[3-[4-(3-methylanilino)-6-(prop-2-enoylamino)quinazolin-7-yl]oxypropyl]piperazin-1-yl]acetate
CID 22270177
6,7-diethoxy-N-[3-(3-methylphenyl)phenyl]quinazolin-4-amine
CID 11014847
ethyl 2-[4-[(E)-4-[[4-(3-chloro-4-fluoroanilino)-7-(cyclopropylmethoxy)quinazolin-6-yl]amino]-4-oxobut-2-enoyl]piperazin-1-yl]acetate
CID 22270114
ethyl 2-[[4-[[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]amino]-4-oxobut-2-enyl]-methylamino]acetate
CID 67024464
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
2-(4-acetylpiperazin-1-yl)-1-[4-[[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidin-1-yl]ethanone
CID 11215409
4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68530871
2-[7-methoxy-4-(3-methylanilino)quinazolin-6-yl]oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 163359995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate (CID 54546578) is ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(COc2cc3ncnc(Nc4cccc(C)c4)c3cc2OC)CC1.
What is the InChIKey of ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate?
The InChIKey is ZGXYANDBNYRHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-4-33-25(31)15-30-10-8-19(9-11-30)16-34-24-14-22-21(13-23(24)32-3)26(28-17-27-22)29-20-7-5-6-18(2)12-20/h5-7,12-14,17,19H,4,8-11,15-16H2,1-3H3,(H,27,28,29).
What are the key properties of ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate?
ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate has a molecular weight of 464.57 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[6-methoxy-4-(3-methylanilino)quinazolin-7-yl]oxymethyl]piperidin-1-yl]acetate is sourced from PubChem (CID 54546578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).