6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine

C26H24N4O3 — CID 22484384

IUPAC6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1
InChIInChI=1S/C26H24N4O3/c1-19-15-21(8-10-25(19)33-22-6-3-11-27-17-22)30-26-23-16-20(5-4-12-32-14-13-31-2)7-9-24(23)28-18-29-26/h3,6-11,15-18H,12-14H2,1-2H3,(H,28,29,30)
InChIKeySTLZWGYSFYBWPU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.88
Rot. Bonds8

About 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine

6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine (PubChem CID 22484384) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
PubChem CID22484384
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOCCOCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1
InChIInChI=1S/C26H24N4O3/c1-19-15-21(8-10-25(19)33-22-6-3-11-27-17-22)30-26-23-16-20(5-4-12-32-14-13-31-2)7-9-24(23)28-18-29-26/h3,6-11,15-18H,12-14H2,1-2H3,(H,28,29,30)
InChIKeySTLZWGYSFYBWPU-UHFFFAOYSA-N
XLogP4.88
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide
CID 22484292
2-methyl-4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yn-2-ol
CID 22484359
N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
CID 10160134
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
6-(3-aminobut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 18616753
methyl 4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylate
CID 174382691
2-(2-hydroxyethylsulfanyl)-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]acetamide
CID 22484329
[3-ethyl-5-hydroxy-1-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]pent-1-yn-3-yl]urea
CID 22484187
N-[4-(1,3-benzoxazol-5-yloxy)-3-methylphenyl]-6-(2-methoxyethoxy)quinazolin-4-amine
CID 58139893
6-ethynyl-N-(3-methyl-4-quinolin-8-yloxyphenyl)quinazolin-4-amine
CID 169222963
N-[3-methyl-4-(2-methylpyrimidin-5-yl)oxyphenyl]quinazolin-4-amine
CID 141045085
N-[3-[4-[(5-methyl-6-phenoxy-3-pyridinyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxopropanamide
CID 10173760

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine (CID 22484384) is 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine is COCCOCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1.
What is the InChIKey of 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?
The InChIKey is STLZWGYSFYBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-19-15-21(8-10-25(19)33-22-6-3-11-27-17-22)30-26-23-16-20(5-4-12-32-14-13-31-2)7-9-24(23)28-18-29-26/h3,6-11,15-18H,12-14H2,1-2H3,(H,28,29,30).
What are the key properties of 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine?
6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine has a molecular weight of 440.50 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 22484384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).