6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

C21H20N4O2 — CID 25018564

IUPAC6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2cc1OC
InChIInChI=1S/C21H20N4O2/c1-3-15-12-16-14-22-21(24-19(16)13-20(15)26-2)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h1,4-7,12-14H,8-11H2,2H3,(H,22,23,24)
InChIKeyLPTAGLGITWCTDL-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.20
Rot. Bonds4

About 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 25018564) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID25018564
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESC#Cc1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2cc1OC
InChIInChI=1S/C21H20N4O2/c1-3-15-12-16-14-22-21(24-19(16)13-20(15)26-2)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h1,4-7,12-14H,8-11H2,2H3,(H,22,23,24)
InChIKeyLPTAGLGITWCTDL-UHFFFAOYSA-N
XLogP3.20
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 89260405
CID 89260405
[4-[(6-ethynyl-7-piperidin-4-yloxyquinazolin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 88954305
6-cyclopropyl-N-(4-morpholin-4-ylphenyl)-7-[(3R)-pyrrolidin-3-yl]oxyquinazolin-2-amine
CID 70889660
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
4-(4-aminophenyl)sulfanyl-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine;ethane;molecular hydrogen
CID 143728275
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]benzamide
CID 117077407
N-(3-ethynylphenyl)-6,7-dimethoxyquinazolin-2-amine
CID 150674424
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 22693013
2-[[5-methoxy-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-methylbenzamide
CID 155527161
N-[3-[(dimethylamino)methyl]-5-[(6-ethynyl-7-methoxyquinazolin-2-yl)amino]phenyl]acetamide
CID 25019083
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
7-(3-methoxyphenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 171349227

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (CID 25018564) is 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is C#Cc1cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2cc1OC.
What is the InChIKey of 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is LPTAGLGITWCTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-3-15-12-16-14-22-21(24-19(16)13-20(15)26-2)23-17-4-6-18(7-5-17)25-8-10-27-11-9-25/h1,4-7,12-14H,8-11H2,2H3,(H,22,23,24).
What are the key properties of 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 360.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-7-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 25018564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).