[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C22H25N5O4 — CID 10693573

IUPAC[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1
InChIInChI=1S/C22H25N5O4/c1-29-15-6-4-5-14(11-15)21(28)26-7-9-27(10-8-26)22-24-17-13-19(31-3)18(30-2)12-16(17)20(23)25-22/h4-6,11-13H,7-10H2,1-3H3,(H2,23,24,25)
InChIKeyVFHPXQAFIYFFPA-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.20
Rot. Bonds5

About [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 10693573) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID10693573
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1
InChIInChI=1S/C22H25N5O4/c1-29-15-6-4-5-14(11-15)21(28)26-7-9-27(10-8-26)22-24-17-13-19(31-3)18(30-2)12-16(17)20(23)25-22/h4-6,11-13H,7-10H2,1-3H3,(H2,23,24,25)
InChIKeyVFHPXQAFIYFFPA-UHFFFAOYSA-N
XLogP2.20
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 10693573) is [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)CC2)c1.
What is the InChIKey of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is VFHPXQAFIYFFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-29-15-6-4-5-14(11-15)21(28)26-7-9-27(10-8-26)22-24-17-13-19(31-3)18(30-2)12-16(17)20(23)25-22/h4-6,11-13H,7-10H2,1-3H3,(H2,23,24,25).
What are the key properties of [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 423.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 10693573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).