1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone

C21H18N4O2 — CID 169231124

IUPAC1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1C(C)=O
InChIInChI=1S/C21H18N4O2/c1-13(26)15-9-16-18(10-19(15)27-3)22-12-23-21(16)17-11-25(2)24-20(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyFTTJIUHNBCXTAV-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.91
Rot. Bonds4

About 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone

1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone (PubChem CID 169231124) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
PubChem CID169231124
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
SMILESCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1C(C)=O
InChIInChI=1S/C21H18N4O2/c1-13(26)15-9-16-18(10-19(15)27-3)22-12-23-21(16)17-11-25(2)24-20(17)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyFTTJIUHNBCXTAV-UHFFFAOYSA-N
XLogP3.91
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone?
The IUPAC name of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone (CID 169231124) is 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone.
What is the SMILES notation for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone?
The canonical SMILES for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone is COc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1C(C)=O.
What is the InChIKey of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone?
The InChIKey is FTTJIUHNBCXTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-13(26)15-9-16-18(10-19(15)27-3)22-12-23-21(16)17-11-25(2)24-20(17)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone?
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone has a molecular weight of 358.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone is sourced from PubChem (CID 169231124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).