[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate

C24H22N4O4 — CID 11037387

IUPAC[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate
SMILESCOc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1ccncc1
InChIInChI=1S/C24H22N4O4/c1-15-4-5-18(10-21(15)32-16(2)29)28-24-19-11-22(30-3)23(12-20(19)26-14-27-24)31-13-17-6-8-25-9-7-17/h4-12,14H,13H2,1-3H3,(H,26,27,28)
InChIKeyINGYCBHIUAFYRQ-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.59
Rot. Bonds7

About [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate

[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate (PubChem CID 11037387) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate.

Molecular Properties

Compound Name[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate
PubChem CID11037387
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate
SMILESCOc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1ccncc1
InChIInChI=1S/C24H22N4O4/c1-15-4-5-18(10-21(15)32-16(2)29)28-24-19-11-22(30-3)23(12-20(19)26-14-27-24)31-13-17-6-8-25-9-7-17/h4-12,14H,13H2,1-3H3,(H,26,27,28)
InChIKeyINGYCBHIUAFYRQ-UHFFFAOYSA-N
XLogP4.59
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
[4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate
CID 21260312
[4-(1,2-benzoxazol-5-ylamino)-7-methoxyquinazolin-6-yl] acetate
CID 155004316
[4-(3-ethynyl-4-fluoroanilino)-7-methoxyquinazolin-6-yl] acetate
CID 45140352
5-[[6-methoxy-7-(1-pyridin-4-ylpropoxy)quinazolin-4-yl]amino]-2-methylphenol
CID 22624876
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-amine;hydrochloride
CID 22624902
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
[2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]-phenylmethanone
CID 18967638

Frequently Asked Questions

What is the IUPAC name of [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate?
The IUPAC name of [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate (CID 11037387) is [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate.
What is the SMILES notation for [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate?
The canonical SMILES for [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate is COc1cc2c(Nc3ccc(C)c(OC(C)=O)c3)ncnc2cc1OCc1ccncc1.
What is the InChIKey of [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate?
The InChIKey is INGYCBHIUAFYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-15-4-5-18(10-21(15)32-16(2)29)28-24-19-11-22(30-3)23(12-20(19)26-14-27-24)31-13-17-6-8-25-9-7-17/h4-12,14H,13H2,1-3H3,(H,26,27,28).
What are the key properties of [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate?
[5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate has a molecular weight of 430.46 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-methoxy-7-(pyridin-4-ylmethoxy)quinazolin-4-yl]amino]-2-methylphenyl] acetate is sourced from PubChem (CID 11037387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).