2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine

C23H26N4O3 — CID 155497694

IUPAC2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3C[C@@H](c4ccccc4)O[C@@H](C4CC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C23H26N4O3/c1-28-18-10-16-17(11-19(18)29-2)25-23(26-22(16)24)27-12-20(14-6-4-3-5-7-14)30-21(13-27)15-8-9-15/h3-7,10-11,15,20-21H,8-9,12-13H2,1-2H3,(H2,24,25,26)/t20-,21+/m0/s1
InChIKeyPVYGSJGLZWTDCD-LEWJYISDSA-N
MW406.49 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine

2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 155497694) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID155497694
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3C[C@@H](c4ccccc4)O[C@@H](C4CC4)C3)nc(N)c2cc1OC
InChIInChI=1S/C23H26N4O3/c1-28-18-10-16-17(11-19(18)29-2)25-23(26-22(16)24)27-12-20(14-6-4-3-5-7-14)30-21(13-27)15-8-9-15/h3-7,10-11,15,20-21H,8-9,12-13H2,1-2H3,(H2,24,25,26)/t20-,21+/m0/s1
InChIKeyPVYGSJGLZWTDCD-LEWJYISDSA-N
XLogP3.59
TPSA82.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine with MolForge

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Related Compounds

6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 133344447
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 54245050
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine (CID 155497694) is 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3C[C@@H](c4ccccc4)O[C@@H](C4CC4)C3)nc(N)c2cc1OC.
What is the InChIKey of 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is PVYGSJGLZWTDCD-LEWJYISDSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-28-18-10-16-17(11-19(18)29-2)25-23(26-22(16)24)27-12-20(14-6-4-3-5-7-14)30-21(13-27)15-8-9-15/h3-7,10-11,15,20-21H,8-9,12-13H2,1-2H3,(H2,24,25,26)/t20-,21+/m0/s1.
What are the key properties of 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 406.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 155497694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).