N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide

C20H22N4O3 — CID 90761748

IUPACN-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
SMILESCCC(=O)NCCOc1cccc2ncnc(Nc3ccc(O)c(C)c3)c12
InChIInChI=1S/C20H22N4O3/c1-3-18(26)21-9-10-27-17-6-4-5-15-19(17)20(23-12-22-15)24-14-7-8-16(25)13(2)11-14/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyHPLKFSHDTPJXDN-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.29
Rot. Bonds7

About N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide

N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide (PubChem CID 90761748) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide.

Molecular Properties

Compound NameN-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
PubChem CID90761748
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide
SMILESCCC(=O)NCCOc1cccc2ncnc(Nc3ccc(O)c(C)c3)c12
InChIInChI=1S/C20H22N4O3/c1-3-18(26)21-9-10-27-17-6-4-5-15-19(17)20(23-12-22-15)24-14-7-8-16(25)13(2)11-14/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyHPLKFSHDTPJXDN-UHFFFAOYSA-N
XLogP3.29
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[4-[(Z)-2-amino-3-methylsulfanylprop-2-enoxy]-3-methylanilino]quinazolin-5-yl]oxyethyl]-2-hydroxyacetamide
CID 143054050
N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 154511898
2-hydroxy-N-[2-[4-[3-methyl-4-(1,3-thiazol-2-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 90865607
2-hydroxy-N-[2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxyethyl]propanamide
CID 91117359
2-methyl-4-[[5-[(2R)-1-[methyl(prop-2-enyl)amino]propan-2-yl]oxyquinazolin-4-yl]amino]phenol
CID 69060886
2-hydroxy-N-methyl-N-[2-[4-[3-methyl-4-(1,3-thiazol-4-ylmethoxy)anilino]quinazolin-5-yl]oxyethyl]acetamide
CID 11751964
N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5-[2-[methyl(prop-1-en-2-yl)amino]ethoxy]quinazolin-4-amine
CID 143054061
N-[2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]oxyethyl]propanamide
CID 58139961
methyl (2R)-2-[4-[3-methyl-4-(pyridin-2-ylmethoxy)anilino]quinazolin-5-yl]oxypropanoate
CID 86615536
(2R)-N-(3-hydroxypropyl)-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11598297
N-[2-(2-ethylphenoxy)ethyl]propanamide
CID 113099835
(2R)-N-[(2S)-2-hydroxypropyl]-2-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-5-yl]oxypropanamide
CID 11663125

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide?
The IUPAC name of N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide (CID 90761748) is N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide.
What is the SMILES notation for N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide?
The canonical SMILES for N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide is CCC(=O)NCCOc1cccc2ncnc(Nc3ccc(O)c(C)c3)c12.
What is the InChIKey of N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide?
The InChIKey is HPLKFSHDTPJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-18(26)21-9-10-27-17-6-4-5-15-19(17)20(23-12-22-15)24-14-7-8-16(25)13(2)11-14/h4-8,11-12,25H,3,9-10H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide?
N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide has a molecular weight of 366.42 g/mol, XLogP of 3.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-hydroxy-3-methylanilino)quinazolin-5-yl]oxyethyl]propanamide is sourced from PubChem (CID 90761748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).