2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one

C21H18N4O3 — CID 67982499

IUPAC2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
SMILESCOc1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-11-14(12-23-19(18)28-2)13-8-9-17-16(10-13)20(26)25(21(22)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,24)
InChIKeyAEWQVMNZHZEGMP-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.05
Rot. Bonds4

About 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one

2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one (PubChem CID 67982499) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
PubChem CID67982499
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
SMILESCOc1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC
InChIInChI=1S/C21H18N4O3/c1-27-18-11-14(12-23-19(18)28-2)13-8-9-17-16(10-13)20(26)25(21(22)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,24)
InChIKeyAEWQVMNZHZEGMP-UHFFFAOYSA-N
XLogP3.05
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one (CID 67982499) is 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one is COc1cc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cnc1OC.
What is the InChIKey of 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one?
The InChIKey is AEWQVMNZHZEGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-18-11-14(12-23-19(18)28-2)13-8-9-17-16(10-13)20(26)25(21(22)24-17)15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,22,24).
What are the key properties of 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one?
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one has a molecular weight of 374.40 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 67982499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).