6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine

C23H25N3O4 — CID 143713379

IUPAC6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESC#Cc1ccc(Nc2ncnc3cc(OCCOC)c(OCCOCC)cc23)cc1
InChIInChI=1S/C23H25N3O4/c1-4-17-6-8-18(9-7-17)26-23-19-14-21(30-13-11-28-5-2)22(29-12-10-27-3)15-20(19)24-16-25-23/h1,6-9,14-16H,5,10-13H2,2-3H3,(H,24,25,26)
InChIKeyFXUPTSSUJATNLR-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.80
Rot. Bonds11

About 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine

6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine (PubChem CID 143713379) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
PubChem CID143713379
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
SMILESC#Cc1ccc(Nc2ncnc3cc(OCCOC)c(OCCOCC)cc23)cc1
InChIInChI=1S/C23H25N3O4/c1-4-17-6-8-18(9-7-17)26-23-19-14-21(30-13-11-28-5-2)22(29-12-10-27-3)15-20(19)24-16-25-23/h1,6-9,14-16H,5,10-13H2,2-3H3,(H,24,25,26)
InChIKeyFXUPTSSUJATNLR-UHFFFAOYSA-N
XLogP3.80
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.80
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

N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
3-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]-5-ethynylphenol
CID 177371613
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
O-[2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl]hydroxylamine
CID 154688486
O-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]hydroxylamine
CID 155055619
2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;2-[4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-yl]oxyethanol;2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
CID 157286240
2-[4-(3-ethynylanilino)-7-(2-hydroxyethoxy)quinazolin-6-yl]oxyethanol;2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol
CID 87387764
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-[1,1,2,2-tetradeuterio-2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine
CID 25235723
4-(3-ethynylanilino)-6-(2-methoxyethoxy)quinazolin-7-ol;4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-ol;4-(3-ethynylanilino)quinazoline-6,7-diol
CID 159447068
2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl formate
CID 175022699

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The IUPAC name of 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine (CID 143713379) is 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine.
What is the SMILES notation for 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The canonical SMILES for 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine is C#Cc1ccc(Nc2ncnc3cc(OCCOC)c(OCCOCC)cc23)cc1.
What is the InChIKey of 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
The InChIKey is FXUPTSSUJATNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-17-6-8-18(9-7-17)26-23-19-14-21(30-13-11-28-5-2)22(29-12-10-27-3)15-20(19)24-16-25-23/h1,6-9,14-16H,5,10-13H2,2-3H3,(H,24,25,26).
What are the key properties of 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine?
6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine has a molecular weight of 407.47 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-N-(4-ethynylphenyl)-7-(2-methoxyethoxy)quinazolin-4-amine is sourced from PubChem (CID 143713379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).