N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide

C21H22N4O4 — CID 175880878

IUPACN-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide
SMILESCOc1cc(OC2CCOC2)cc2ncnc(Nc3ccc(NC(C)=O)cc3)c12
InChIInChI=1S/C21H22N4O4/c1-13(26)24-14-3-5-15(6-4-14)25-21-20-18(22-12-23-21)9-17(10-19(20)27-2)29-16-7-8-28-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVSUODIOQKUPIEI-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide

N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide (PubChem CID 175880878) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide
PubChem CID175880878
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide
SMILESCOc1cc(OC2CCOC2)cc2ncnc(Nc3ccc(NC(C)=O)cc3)c12
InChIInChI=1S/C21H22N4O4/c1-13(26)24-14-3-5-15(6-4-14)25-21-20-18(22-12-23-21)9-17(10-19(20)27-2)29-16-7-8-28-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyVSUODIOQKUPIEI-UHFFFAOYSA-N
XLogP3.51
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[amino-[(Z)-2-amino-3-methylbut-1-enyl]amino]-N-[4-[[5-hydroxy-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-yl]amino]phenyl]acetamide
CID 163966622
[4-(2,4-dichloro-5-methoxyanilino)-5-(oxan-4-yloxy)quinazolin-7-yl] acetate
CID 22140824
N-[4-[[5-ethoxy-7-(oxan-4-yloxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 135367214
7-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-N-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-5-methoxyquinazolin-4-amine
CID 90140639
2-[4-[3-[4-(3-chloro-4-fluoroanilino)-5-(oxolan-3-yloxy)quinazolin-7-yl]oxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 10167293
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
CID 10216011
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116
N-[4-methoxy-3-(oxolan-3-ylamino)phenyl]acetamide
CID 63335794
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
CID 120990540
7-(oxolan-3-yloxy)-4-N-(4-phenoxyphenyl)quinazoline-4,6-diamine
CID 123985155
N-(2-chloro-5-methoxyphenyl)-5-(oxan-4-yloxy)-7-[[(2R)-oxiran-2-yl]methoxy]quinazolin-4-amine
CID 86594820
azepan-1-yl-[2-chloro-4-[[7-methoxy-5-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]amino]phenyl]methanone;hydrochloride
CID 68889068

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide (CID 175880878) is N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide is COc1cc(OC2CCOC2)cc2ncnc(Nc3ccc(NC(C)=O)cc3)c12.
What is the InChIKey of N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide?
The InChIKey is VSUODIOQKUPIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13(26)24-14-3-5-15(6-4-14)25-21-20-18(22-12-23-21)9-17(10-19(20)27-2)29-16-7-8-28-11-16/h3-6,9-10,12,16H,7-8,11H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methoxy-7-(oxolan-3-yloxy)quinazolin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 175880878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).