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

C18H16N6O — CID 162233590

IUPAC2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cn1
InChIInChI=1S/C18H16N6O/c1-23-11-19-9-16(23)12-3-4-13-7-20-18(22-15(13)5-12)6-17(25)14-8-21-24(2)10-14/h3-5,7-11H,6H2,1-2H3
InChIKeyZVTOTQMBVAHQQH-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.19
Rot. Bonds4

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

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 162233590) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID162233590
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cn1
InChIInChI=1S/C18H16N6O/c1-23-11-19-9-16(23)12-3-4-13-7-20-18(22-15(13)5-12)6-17(25)14-8-21-24(2)10-14/h3-5,7-11H,6H2,1-2H3
InChIKeyZVTOTQMBVAHQQH-UHFFFAOYSA-N
XLogP2.19
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone
CID 160792121
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-[4-(trideuteriomethyl)phenyl]ethanone
CID 160792119
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(2-methyl-4-pyridinyl)ethanone
CID 158342850
1-(4,4-difluorocyclohexyl)-2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]ethanone
CID 149124301
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 159741328
2-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(1-piperidin-4-ylpyrazol-4-yl)ethanone
CID 161155685
1-[1-[1-(2-fluoroethyl)piperidin-4-yl]pyrazol-4-yl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147845265
2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 158788980
1-(4,4-difluorocyclohexyl)-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 147773317
1-[3-methyl-2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]ethanone
CID 159300631
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-4-(trideuteriomethyl)benzamide
CID 138588338
N-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 138587014

Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 162233590) is 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)Cc2ncc3ccc(-c4cncn4C)cc3n2)cn1.
What is the InChIKey of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is ZVTOTQMBVAHQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-23-11-19-9-16(23)12-3-4-13-7-20-18(22-15(13)5-12)6-17(25)14-8-21-24(2)10-14/h3-5,7-11H,6H2,1-2H3.
What are the key properties of 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 332.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-methylimidazol-4-yl)quinazolin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 162233590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).