2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone

C20H17N5O — CID 158342850

IUPAC2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)ccn1
InChIInChI=1S/C20H17N5O/c1-13-7-15(5-6-22-13)19(26)9-20-23-10-16-4-3-14(8-17(16)24-20)18-11-21-12-25(18)2/h3-8,10-12H,9H2,1-2H3
InChIKeyGRJFWCPJBQUBRG-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.16
Rot. Bonds4

About 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone (PubChem CID 158342850) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
PubChem CID158342850
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
SMILESCc1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)ccn1
InChIInChI=1S/C20H17N5O/c1-13-7-15(5-6-22-13)19(26)9-20-23-10-16-4-3-14(8-17(16)24-20)18-11-21-12-25(18)2/h3-8,10-12H,9H2,1-2H3
InChIKeyGRJFWCPJBQUBRG-UHFFFAOYSA-N
XLogP3.16
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone?
The IUPAC name of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone (CID 158342850) is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone is Cc1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)ccn1.
What is the InChIKey of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone?
The InChIKey is GRJFWCPJBQUBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13-7-15(5-6-22-13)19(26)9-20-23-10-16-4-3-14(8-17(16)24-20)18-11-21-12-25(18)2/h3-8,10-12H,9H2,1-2H3.
What are the key properties of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone?
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone has a molecular weight of 343.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 158342850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).