N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine

C25H22N4O4 — CID 58139893

IUPACN-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3ccc(Oc4ccc5ocnc5c4)c(C)c3)c2c1
InChIInChI=1S/C25H22N4O4/c1-16-11-17(3-7-23(16)33-19-5-8-24-22(13-19)28-15-32-24)29-25-20-12-18(31-10-9-30-2)4-6-21(20)26-14-27-25/h3-8,11-15H,9-10H2,1-2H3,(H,26,27,29)
InChIKeyRHTPNJSQKPEVAJ-UHFFFAOYSA-N
MW442.48 g/mol
LogP5.64
Rot. Bonds8

About N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine

N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 58139893) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID58139893
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC NameN-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
SMILESCOCCOc1ccc2ncnc(Nc3ccc(Oc4ccc5ocnc5c4)c(C)c3)c2c1
InChIInChI=1S/C25H22N4O4/c1-16-11-17(3-7-23(16)33-19-5-8-24-22(13-19)28-15-32-24)29-25-20-12-18(31-10-9-30-2)4-6-21(20)26-14-27-25/h3-8,11-15H,9-10H2,1-2H3,(H,26,27,29)
InChIKeyRHTPNJSQKPEVAJ-UHFFFAOYSA-N
XLogP5.64
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzothiazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
CID 66937017
2-[4-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)anilino]quinazolin-6-yl]oxyethyl acetate
CID 16752578
N-[(E)-3-[4-[4-(1,3-benzoxazol-5-yloxy)-3-methylanilino]pyrido[3,2-d]pyrimidin-6-yl]prop-2-enyl]-N-methylprop-2-enamide
CID 176949827
N-(3-chloro-4-imidazo[1,2-a]pyridin-7-yloxyphenyl)-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139975
N-[2-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]oxyethyl]propanamide
CID 58139961
4-methoxy-1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]quinazolin-6-yl]butan-2-one
CID 58139894
N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-amine
CID 58139957
6-(2-cyclopropyloxyethoxy)-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-6-yloxy)phenyl]quinazolin-4-amine
CID 58139939
1-[4-[4-[4-(1,3-benzoxazol-5-yloxy)-3-methylanilino]pyrido[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
CID 166029145
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(3-methylsulfonylpropoxy)quinazolin-4-amine
CID 58139984
N-(2,2-dimethylpropyl)-4-[4-[[6-(2-methoxyethoxy)pyrido[3,4-d]pyrimidin-4-yl]amino]-2-methylphenoxy]benzamide
CID 69054481
3,5-dihydroxy-N-(2-methoxyethyl)-6-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]oxyhexanamide
CID 11577688

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine (CID 58139893) is N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine is COCCOc1ccc2ncnc(Nc3ccc(Oc4ccc5ocnc5c4)c(C)c3)c2c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is RHTPNJSQKPEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-11-17(3-7-23(16)33-19-5-8-24-22(13-19)28-15-32-24)29-25-20-12-18(31-10-9-30-2)4-6-21(20)26-14-27-25/h3-8,11-15H,9-10H2,1-2H3,(H,26,27,29).
What are the key properties of N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine?
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 442.48 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 58139893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).