(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C16H22N4O4 — CID 155912195

IUPAC(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1cc2nc(N3CC[C@H](CO)[C@H](O)C3)nc(N)c2cc1OC
InChIInChI=1S/C16H22N4O4/c1-23-13-5-10-11(6-14(13)24-2)18-16(19-15(10)17)20-4-3-9(8-21)12(22)7-20/h5-6,9,12,21-22H,3-4,7-8H2,1-2H3,(H2,17,18,19)/t9-,12-/m1/s1
InChIKeyNAAUSFACESYSRF-BXKDBHETSA-N
MW334.38 g/mol
LogP0.41
Rot. Bonds4

About (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 155912195) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID155912195
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESCOc1cc2nc(N3CC[C@H](CO)[C@H](O)C3)nc(N)c2cc1OC
InChIInChI=1S/C16H22N4O4/c1-23-13-5-10-11(6-14(13)24-2)18-16(19-15(10)17)20-4-3-9(8-21)12(22)7-20/h5-6,9,12,21-22H,3-4,7-8H2,1-2H3,(H2,17,18,19)/t9-,12-/m1/s1
InChIKeyNAAUSFACESYSRF-BXKDBHETSA-N
XLogP0.41
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol with MolForge

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Related Compounds

2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
CID 163462957
CID 163462957
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 3049505
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 155912195) is (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is COc1cc2nc(N3CC[C@H](CO)[C@H](O)C3)nc(N)c2cc1OC.
What is the InChIKey of (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is NAAUSFACESYSRF-BXKDBHETSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-23-13-5-10-11(6-14(13)24-2)18-16(19-15(10)17)20-4-3-9(8-21)12(22)7-20/h5-6,9,12,21-22H,3-4,7-8H2,1-2H3,(H2,17,18,19)/t9-,12-/m1/s1.
What are the key properties of (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 334.38 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 155912195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).