6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline

C20H17BrN4O — CID 169231514

IUPAC6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
SMILESCCn1cc(-c2ncnc3cc(OC)c(Br)cc23)c(-c2ccccc2)n1
InChIInChI=1S/C20H17BrN4O/c1-3-25-11-15(19(24-25)13-7-5-4-6-8-13)20-14-9-16(21)18(26-2)10-17(14)22-12-23-20/h4-12H,3H2,1-2H3
InChIKeyLNILKGHQLYMPIQ-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.95
Rot. Bonds4

About 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline

6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline (PubChem CID 169231514) has the molecular formula C20H17BrN4O and a molecular weight of 409.29 g/mol. Its IUPAC name is 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline.

Molecular Properties

Compound Name6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
PubChem CID169231514
Molecular FormulaC20H17BrN4O
Molecular Weight409.29 g/mol
Exact Mass408.06
IUPAC Name6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline
SMILESCCn1cc(-c2ncnc3cc(OC)c(Br)cc23)c(-c2ccccc2)n1
InChIInChI=1S/C20H17BrN4O/c1-3-25-11-15(19(24-25)13-7-5-4-6-8-13)20-14-9-16(21)18(26-2)10-17(14)22-12-23-20/h4-12H,3H2,1-2H3
InChIKeyLNILKGHQLYMPIQ-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-ethoxyquinazoline
CID 169231200
6-bromo-7-ethoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231449
[7-ethoxy-4-(1-ethyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]methanol
CID 169231077
7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-amine
CID 169231992
4-(1-ethyl-3-phenylpyrazol-4-yl)-7-(1-methylpyrazol-4-yl)quinazoline
CID 169231659
1-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]ethanone
CID 169231124
1-methoxybutane;N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]formamide
CID 169231723
6-[(3S,4S)-4-fluoro-1-methylpyrrolidin-3-yl]oxy-7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazoline
CID 169231902
7-methoxy-6-nitro-4-[3-phenyl-1-(trifluoromethyl)pyrazol-4-yl]quinazoline
CID 169230991
[7-ethoxy-4-(3-phenyl-1-propan-2-ylpyrazol-4-yl)quinazolin-6-yl]methanol
CID 169231209
N-[4-[1-(2,2-difluoroethyl)-3-phenylpyrazol-4-yl]-7-methoxyquinazolin-6-yl]-3-oxabicyclo[3.1.0]hexane-1-carboxamide
CID 169231444
cis-(1R,2S)-N-[7-methoxy-4-(1-methyl-3-phenylpyrazol-4-yl)quinazolin-6-yl]-2-methylcyclopropane-1-carboxamide
CID 169231672

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline?
The IUPAC name of 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline (CID 169231514) is 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline.
What is the SMILES notation for 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline?
The canonical SMILES for 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline is CCn1cc(-c2ncnc3cc(OC)c(Br)cc23)c(-c2ccccc2)n1.
What is the InChIKey of 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline?
The InChIKey is LNILKGHQLYMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4O/c1-3-25-11-15(19(24-25)13-7-5-4-6-8-13)20-14-9-16(21)18(26-2)10-17(14)22-12-23-20/h4-12H,3H2,1-2H3.
What are the key properties of 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline?
6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline has a molecular weight of 409.29 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-ethyl-3-phenylpyrazol-4-yl)-7-methoxyquinazoline is sourced from PubChem (CID 169231514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).