2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine

C26H32N8O4 — CID 44532808

IUPAC2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NCC3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C26H32N8O4/c1-35-19-9-15-17(11-21(19)37-3)30-25(32-23(15)27)29-13-14-5-7-34(8-6-14)26-31-18-12-22(38-4)20(36-2)10-16(18)24(28)33-26/h9-12,14H,5-8,13H2,1-4H3,(H2,28,31,33)(H3,27,29,30,32)
InChIKeyOOCFWCQTDLJJRB-UHFFFAOYSA-N
MW520.59 g/mol
LogP3.10
Rot. Bonds8

About 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine

2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine (PubChem CID 44532808) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
PubChem CID44532808
Molecular FormulaC26H32N8O4
Molecular Weight520.59 g/mol
Exact Mass520.25
IUPAC Name2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
SMILESCOc1cc2nc(NCC3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C26H32N8O4/c1-35-19-9-15-17(11-21(19)37-3)30-25(32-23(15)27)29-13-14-5-7-34(8-6-14)26-31-18-12-22(38-4)20(36-2)10-16(18)24(28)33-26/h9-12,14H,5-8,13H2,1-4H3,(H2,28,31,33)(H3,27,29,30,32)
InChIKeyOOCFWCQTDLJJRB-UHFFFAOYSA-N
XLogP3.10
TPSA155.79 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine with MolForge

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Related Compounds

2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
2-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethylcarbamic acid
CID 67137425
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
1-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]cyclopentan-1-ol
CID 57012621
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
CID 163462958
6,7-dimethoxy-2-[4-[[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]methyl]piperidin-1-yl]quinazolin-4-amine
CID 44532843
1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]pyrrole-2,5-diol
CID 54550308
(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-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The IUPAC name of 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine (CID 44532808) is 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The canonical SMILES for 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine is COc1cc2nc(NCC3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine?
The InChIKey is OOCFWCQTDLJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-35-19-9-15-17(11-21(19)37-3)30-25(32-23(15)27)29-13-14-5-7-34(8-6-14)26-31-18-12-22(38-4)20(36-2)10-16(18)24(28)33-26/h9-12,14H,5-8,13H2,1-4H3,(H2,28,31,33)(H3,27,29,30,32).
What are the key properties of 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine?
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine has a molecular weight of 520.59 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine is sourced from PubChem (CID 44532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).