6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline

C20H17BrN4O — CID 169231449

IUPAC6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
SMILESCCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1Br
InChIInChI=1S/C20H17BrN4O/c1-3-26-18-10-17-14(9-16(18)21)20(23-12-22-17)15-11-25(2)24-19(15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyDPHLOVRXVXRGEJ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.86
Rot. Bonds4

About 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline

6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline (PubChem CID 169231449) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
PubChem CID169231449
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
SMILESCCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1Br
InChIInChI=1S/C20H17BrN4O/c1-3-26-18-10-17-14(9-16(18)21)20(23-12-22-17)15-11-25(2)24-19(15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3
InChIKeyDPHLOVRXVXRGEJ-UHFFFAOYSA-N
XLogP4.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?
The IUPAC name of 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline (CID 169231449) is 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?
The canonical SMILES for 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline is CCOc1cc2ncnc(-c3cn(C)nc3-c3ccccc3)c2cc1Br.
What is the InChIKey of 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?
The InChIKey is DPHLOVRXVXRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-3-26-18-10-17-14(9-16(18)21)20(23-12-22-17)15-11-25(2)24-19(15)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3.
What are the key properties of 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline?
6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline has a molecular weight of 409.29 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 169231449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).