2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one

C20H23N5O2 — CID 123245063

IUPAC2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(C4CCCCC4)c(=O)c3c2)cc1N
InChIInChI=1S/C20H23N5O2/c1-27-18-16(21)10-13(11-23-18)12-7-8-17-15(9-12)19(26)25(20(22)24-17)14-5-3-2-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,24)
InChIKeyLKJUVOZBZUDXPJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.14
Rot. Bonds3

About 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one

2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one (PubChem CID 123245063) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one
PubChem CID123245063
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(C4CCCCC4)c(=O)c3c2)cc1N
InChIInChI=1S/C20H23N5O2/c1-27-18-16(21)10-13(11-23-18)12-7-8-17-15(9-12)19(26)25(20(22)24-17)14-5-3-2-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,24)
InChIKeyLKJUVOZBZUDXPJ-UHFFFAOYSA-N
XLogP3.14
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one?
The IUPAC name of 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one (CID 123245063) is 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one.
What is the SMILES notation for 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one?
The canonical SMILES for 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one is COc1ncc(-c2ccc3nc(N)n(C4CCCCC4)c(=O)c3c2)cc1N.
What is the InChIKey of 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one?
The InChIKey is LKJUVOZBZUDXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-18-16(21)10-13(11-23-18)12-7-8-17-15(9-12)19(26)25(20(22)24-17)14-5-3-2-4-6-14/h7-11,14H,2-6,21H2,1H3,(H2,22,24).
What are the key properties of 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one?
2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one has a molecular weight of 365.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-3-cyclohexylquinazolin-4-one is sourced from PubChem (CID 123245063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).