2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one

C23H17N5O2S — CID 67982263

IUPAC2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1-c1nccs1
InChIInChI=1S/C23H17N5O2S/c1-30-20-18(21-25-9-10-31-21)12-15(13-26-20)14-7-8-19-17(11-14)22(29)28(23(24)27-19)16-5-3-2-4-6-16/h2-13H,1H3,(H2,24,27)
InChIKeyBRXUKKHHWGQNQK-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.16
Rot. Bonds4

About 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one

2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one (PubChem CID 67982263) has the molecular formula C23H17N5O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one
PubChem CID67982263
Molecular FormulaC23H17N5O2S
Molecular Weight427.49 g/mol
Exact Mass427.11
IUPAC Name2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one
SMILESCOc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1-c1nccs1
InChIInChI=1S/C23H17N5O2S/c1-30-20-18(21-25-9-10-31-21)12-15(13-26-20)14-7-8-19-17(11-14)22(29)28(23(24)27-19)16-5-3-2-4-6-16/h2-13H,1H3,(H2,24,27)
InChIKeyBRXUKKHHWGQNQK-UHFFFAOYSA-N
XLogP4.16
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one (CID 67982263) is 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one is COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1-c1nccs1.
What is the InChIKey of 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one?
The InChIKey is BRXUKKHHWGQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O2S/c1-30-20-18(21-25-9-10-31-21)12-15(13-26-20)14-7-8-19-17(11-14)22(29)28(23(24)27-19)16-5-3-2-4-6-16/h2-13H,1H3,(H2,24,27).
What are the key properties of 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one?
2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one has a molecular weight of 427.49 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-methoxy-5-(1,3-thiazol-2-yl)-3-pyridinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 67982263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).