7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol

C18H14N3O2- — CID 134817524

IUPAC7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol
SMILESC#Cc1cccc(Nc2ncnc3cc(OC[CH2-])c(O)cc23)c1
InChIInChI=1S/C18H14N3O2/c1-3-12-6-5-7-13(8-12)21-18-14-9-16(22)17(23-4-2)10-15(14)19-11-20-18/h1,5-11,22H,2,4H2,(H,19,20,21)/q-1
InChIKeyCQXCYNCCKDOHTN-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.27
Rot. Bonds4

About 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol

7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol (PubChem CID 134817524) has the molecular formula C18H14N3O2- and a molecular weight of 304.33 g/mol. Its IUPAC name is 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol.

Molecular Properties

Compound Name7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol
PubChem CID134817524
Molecular FormulaC18H14N3O2-
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol
SMILESC#Cc1cccc(Nc2ncnc3cc(OC[CH2-])c(O)cc23)c1
InChIInChI=1S/C18H14N3O2/c1-3-12-6-5-7-13(8-12)21-18-14-9-16(22)17(23-4-2)10-15(14)19-11-20-18/h1,5-11,22H,2,4H2,(H,19,20,21)/q-1
InChIKeyCQXCYNCCKDOHTN-UHFFFAOYSA-N
XLogP3.27
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethynylanilino)quinazoline-6,7-diol
CID 135610917
4-(3-ethynylanilino)-7-[2-(2-hydroxyethoxy)ethoxy]quinazolin-6-ol
CID 123639969
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
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
2-[7-(carboxymethyl)-4-(3-ethynylanilino)quinazolin-6-yl]acetic acid
CID 87085203
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
6-(2-chloroethoxy)-N-(3-ethynylphenyl)-7-propoxyquinazolin-4-amine
CID 154677809
6,7-bis[2-(difluoromethoxy)ethoxy]-N-(3-ethynylphenyl)quinazolin-4-amine
CID 122446160
4-chloro-6,7-dimethoxyquinazoline;N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 162132329

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol?
The IUPAC name of 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol (CID 134817524) is 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol.
What is the SMILES notation for 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol?
The canonical SMILES for 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol is C#Cc1cccc(Nc2ncnc3cc(OC[CH2-])c(O)cc23)c1.
What is the InChIKey of 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol?
The InChIKey is CQXCYNCCKDOHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N3O2/c1-3-12-6-5-7-13(8-12)21-18-14-9-16(22)17(23-4-2)10-15(14)19-11-20-18/h1,5-11,22H,2,4H2,(H,19,20,21)/q-1.
What are the key properties of 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol?
7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol has a molecular weight of 304.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-4-(3-ethynylanilino)quinazolin-6-ol is sourced from PubChem (CID 134817524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).