2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

C24H28N8O4 — CID 616293

IUPAC2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H28N8O4/c1-33-17-9-13-15(11-19(17)35-3)27-23(29-21(13)25)31-5-7-32(8-6-31)24-28-16-12-20(36-4)18(34-2)10-14(16)22(26)30-24/h9-12H,5-8H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyXJWKWPCORQUMQI-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.10
Rot. Bonds6

About 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 616293) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID616293
Molecular FormulaC24H28N8O4
Molecular Weight492.54 g/mol
Exact Mass492.22
IUPAC Name2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC
InChIInChI=1S/C24H28N8O4/c1-33-17-9-13-15(11-19(17)35-3)27-23(29-21(13)25)31-5-7-32(8-6-31)24-28-16-12-20(36-4)18(34-2)10-14(16)22(26)30-24/h9-12H,5-8H2,1-4H3,(H2,25,27,29)(H2,26,28,30)
InChIKeyXJWKWPCORQUMQI-UHFFFAOYSA-N
XLogP2.10
TPSA147.00 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 616293) is 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCN(c4nc(N)c5cc(OC)c(OC)cc5n4)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is XJWKWPCORQUMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-33-17-9-13-15(11-19(17)35-3)27-23(29-21(13)25)31-5-7-32(8-6-31)24-28-16-12-20(36-4)18(34-2)10-14(16)22(26)30-24/h9-12H,5-8H2,1-4H3,(H2,25,27,29)(H2,26,28,30).
What are the key properties of 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 492.54 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 616293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).