1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol

C19H23N5O4 — CID 54550308

IUPAC1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
SMILESCOc1cc2nc(N3CCC(n4c(O)ccc4O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-14-9-12-13(10-15(14)28-2)21-19(22-18(12)20)23-7-5-11(6-8-23)24-16(25)3-4-17(24)26/h3-4,9-11,25-26H,5-8H2,1-2H3,(H2,20,21,22)
InChIKeyZJKPZZMOXRGFAF-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.28
Rot. Bonds4

About 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol

1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol (PubChem CID 54550308) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
PubChem CID54550308
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
SMILESCOc1cc2nc(N3CCC(n4c(O)ccc4O)CC3)nc(N)c2cc1OC
InChIInChI=1S/C19H23N5O4/c1-27-14-9-12-13(10-15(14)28-2)21-19(22-18(12)20)23-7-5-11(6-8-23)24-16(25)3-4-17(24)26/h3-4,9-11,25-26H,5-8H2,1-2H3,(H2,20,21,22)
InChIKeyZJKPZZMOXRGFAF-UHFFFAOYSA-N
XLogP2.28
TPSA118.89 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
CID 163462957
CID 163462957
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
(3S,4R)-1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 155912195
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
6,7-dimethoxy-2-(3-phenylpyrrolidin-1-yl)quinazolin-4-amine
CID 133299996
6,7-dimethoxy-2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]quinazolin-4-amine
CID 166215953
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol?
The IUPAC name of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol (CID 54550308) is 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol?
The canonical SMILES for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol is COc1cc2nc(N3CCC(n4c(O)ccc4O)CC3)nc(N)c2cc1OC.
What is the InChIKey of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol?
The InChIKey is ZJKPZZMOXRGFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-14-9-12-13(10-15(14)28-2)21-19(22-18(12)20)23-7-5-11(6-8-23)24-16(25)3-4-17(24)26/h3-4,9-11,25-26H,5-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol?
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol has a molecular weight of 385.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol is sourced from PubChem (CID 54550308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).