4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol

C20H19N3O4 — CID 123639969

IUPAC4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCOCCO)c(O)cc23)c1
InChIInChI=1S/C20H19N3O4/c1-2-14-4-3-5-15(10-14)23-20-16-11-18(25)19(12-17(16)21-13-22-20)27-9-8-26-7-6-24/h1,3-5,10-13,24-25H,6-9H2,(H,21,22,23)
InChIKeyGFHPKRVFGYXDLJ-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.45
Rot. Bonds8

About 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol

4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol (PubChem CID 123639969) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol.

Molecular Properties

Compound Name4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol
PubChem CID123639969
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol
SMILESC#Cc1cccc(Nc2ncnc3cc(OCCOCCO)c(O)cc23)c1
InChIInChI=1S/C20H19N3O4/c1-2-14-4-3-5-15(10-14)23-20-16-11-18(25)19(12-17(16)21-13-22-20)27-9-8-26-7-6-24/h1,3-5,10-13,24-25H,6-9H2,(H,21,22,23)
InChIKeyGFHPKRVFGYXDLJ-UHFFFAOYSA-N
XLogP2.45
TPSA96.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
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

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
7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol
CID 134817524
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
4-(3-ethynylanilino)quinazoline-6,7-diol
CID 135610917
N-(3-ethynylphenyl)-7-(2-methoxyethoxy)-6-(2-(111C)methoxyethoxy)quinazolin-4-amine
CID 44625620
2-[4-(3-ethynylanilino)-7-hydroxyquinazolin-6-yl]oxyethyl 2,2-dimethylpropanoate
CID 153457534
N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;silver
CID 175128959
6,7-bis[2-(difluoromethoxy)ethoxy]-N-(3-ethynylphenyl)quinazolin-4-amine
CID 122446160
O-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]hydroxylamine
CID 155055619
O-[2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl]hydroxylamine
CID 154688486
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol?
The IUPAC name of 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol (CID 123639969) is 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol.
What is the SMILES notation for 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol?
The canonical SMILES for 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol is C#Cc1cccc(Nc2ncnc3cc(OCCOCCO)c(O)cc23)c1.
What is the InChIKey of 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol?
The InChIKey is GFHPKRVFGYXDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-14-4-3-5-15(10-14)23-20-16-11-18(25)19(12-17(16)21-13-22-20)27-9-8-26-7-6-24/h1,3-5,10-13,24-25H,6-9H2,(H,21,22,23).
What are the key properties of 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol?
4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol has a molecular weight of 365.39 g/mol, XLogP of 2.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol is sourced from PubChem (CID 123639969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).