4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol

C20H19N3O2 — CID 141216293

IUPAC4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol
SMILESCOc1cc(C#CC(C)(C)O)cc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C20H19N3O2/c1-20(2,24)10-9-14-11-15-13-21-19(22-16-7-5-4-6-8-16)23-18(15)17(12-14)25-3/h4-8,11-13,24H,1-3H3,(H,21,22,23)
InChIKeyPFPYJWHTRRTQJK-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.50
Rot. Bonds3

About 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol

4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol (PubChem CID 141216293) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol
PubChem CID141216293
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol
SMILESCOc1cc(C#CC(C)(C)O)cc2cnc(Nc3ccccc3)nc12
InChIInChI=1S/C20H19N3O2/c1-20(2,24)10-9-14-11-15-13-21-19(22-16-7-5-4-6-8-16)23-18(15)17(12-14)25-3/h4-8,11-13,24H,1-3H3,(H,21,22,23)
InChIKeyPFPYJWHTRRTQJK-UHFFFAOYSA-N
XLogP3.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol with MolForge

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Related Compounds

3-[(6-ethynyl-8-methoxyquinazolin-2-yl)amino]phenol
CID 143913385
6-bromo-8-methoxy-N-phenylquinazolin-2-amine;methane;8-methoxy-N,6-diphenylquinazolin-2-amine;phenylboronic acid
CID 158295374
4-[(6-bromo-8-methoxyquinazolin-2-yl)amino]benzenethiol
CID 70864156
1-N-benzyl-4-N-(6,7-dimethoxyquinazolin-2-yl)benzene-1,4-diamine
CID 67698095
5-fluoro-4-methoxy-N-phenylpyrimidin-2-amine
CID 121221051
6-bromo-8-cyclohexyloxy-N-phenylquinazolin-2-amine
CID 58499046
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403
(2-anilino-6-methoxyquinazolin-5-yl) acetate
CID 141179962
N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-2-amine
CID 150674424
4-(3,4-dimethoxyphenyl)-2-phenylbut-3-yn-2-ol
CID 146003165
4-methoxy-5-(4-methoxyphenyl)-N-phenylpyrimidin-2-amine
CID 70485810
4-methoxy-3-methyl-N-phenylaniline
CID 23635969

Frequently Asked Questions

What is the IUPAC name of 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol (CID 141216293) is 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol is COc1cc(C#CC(C)(C)O)cc2cnc(Nc3ccccc3)nc12.
What is the InChIKey of 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is PFPYJWHTRRTQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-20(2,24)10-9-14-11-15-13-21-19(22-16-7-5-4-6-8-16)23-18(15)17(12-14)25-3/h4-8,11-13,24H,1-3H3,(H,21,22,23).
What are the key properties of 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol?
4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 333.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilino-8-methoxyquinazolin-6-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 141216293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).