2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide

C27H25N5O3 — CID 22484292

IUPAC2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide
SMILESCCOCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1
InChIInChI=1S/C27H25N5O3/c1-3-34-17-26(33)29-13-4-6-20-8-10-24-23(15-20)27(31-18-30-24)32-21-9-11-25(19(2)14-21)35-22-7-5-12-28-16-22/h5,7-12,14-16,18H,3,13,17H2,1-2H3,(H,29,33)(H,30,31,32)
InChIKeyOYDDRKZPPAAAND-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.37
Rot. Bonds8

About 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide

2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide (PubChem CID 22484292) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide
PubChem CID22484292
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide
SMILESCCOCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1
InChIInChI=1S/C27H25N5O3/c1-3-34-17-26(33)29-13-4-6-20-8-10-24-23(15-20)27(31-18-30-24)32-21-9-11-25(19(2)14-21)35-22-7-5-12-28-16-22/h5,7-12,14-16,18H,3,13,17H2,1-2H3,(H,29,33)(H,30,31,32)
InChIKeyOYDDRKZPPAAAND-UHFFFAOYSA-N
XLogP4.37
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide with MolForge

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Related Compounds

6-[3-(2-methoxyethoxy)prop-1-ynyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)quinazolin-4-amine
CID 22484384
2-methyl-4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yn-2-ol
CID 22484359
2-(2-hydroxyethylsulfanyl)-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]acetamide
CID 22484329
N-[3-[4-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-ynyl]-2-hydroxyacetamide
CID 22484278
2-ethoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]prop-2-enyl]acetamide
CID 69115903
N-(3-methyl-4-pyridin-3-yloxyphenyl)-6-(2-piperidin-4-ylethynyl)quinazolin-4-amine
CID 10160134
N-[3-[4-[(5-methyl-6-phenoxy-3-pyridinyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxopropanamide
CID 10173760
methyl 4-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]piperazine-1-carboxylate
CID 174382691
(E)-3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-en-1-ol
CID 22484233
[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
6-(3-aminobut-1-ynyl)-N-(3-methyl-4-phenoxyphenyl)quinazolin-4-amine
CID 18616753
1-[5-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]-3,4-dihydro-2H-pyridin-1-yl]ethanone
CID 18616727

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide?
The IUPAC name of 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide (CID 22484292) is 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide is CCOCC(=O)NCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1.
What is the InChIKey of 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide?
The InChIKey is OYDDRKZPPAAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c1-3-34-17-26(33)29-13-4-6-20-8-10-24-23(15-20)27(31-18-30-24)32-21-9-11-25(19(2)14-21)35-22-7-5-12-28-16-22/h5,7-12,14-16,18H,3,13,17H2,1-2H3,(H,29,33)(H,30,31,32).
What are the key properties of 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide?
2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide has a molecular weight of 467.53 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide is sourced from PubChem (CID 22484292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).