N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine

C16H12BrN5 — CID 5328280

IUPACN-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine
SMILESCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21)
InChIKeyBBWYQCNFQUTQED-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.02
Rot. Bonds2

About N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine

N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine (PubChem CID 5328280) has the molecular formula C16H12BrN5 and a molecular weight of 354.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine
PubChem CID5328280
Molecular FormulaC16H12BrN5
Molecular Weight354.21 g/mol
Exact Mass353.03
IUPAC NameN-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine
SMILESCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21)
InChIKeyBBWYQCNFQUTQED-UHFFFAOYSA-N
XLogP4.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine?
The IUPAC name of N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine (CID 5328280) is N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine is Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21.
What is the InChIKey of N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine?
The InChIKey is BBWYQCNFQUTQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5/c1-22-15-7-14-13(5-10(15)8-20-22)16(19-9-18-14)21-12-4-2-3-11(17)6-12/h2-9H,1H3,(H,18,19,21).
What are the key properties of N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine?
N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine has a molecular weight of 354.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-methylpyrazolo[4,3-g]quinazolin-5-amine is sourced from PubChem (CID 5328280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).