N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine

C19H19BrN6 — CID 5328282

IUPACN-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine
SMILESCN(C)CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C19H19BrN6/c1-25(2)6-7-26-18-10-17-16(8-13(18)11-23-26)19(22-12-21-17)24-15-5-3-4-14(20)9-15/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24)
InChIKeyLBVQCWSCVVKPQR-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.05
Rot. Bonds5

About N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine

N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine (PubChem CID 5328282) has the molecular formula C19H19BrN6 and a molecular weight of 411.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine
PubChem CID5328282
Molecular FormulaC19H19BrN6
Molecular Weight411.31 g/mol
Exact Mass410.09
IUPAC NameN-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine
SMILESCN(C)CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C19H19BrN6/c1-25(2)6-7-26-18-10-17-16(8-13(18)11-23-26)19(22-12-21-17)24-15-5-3-4-14(20)9-15/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24)
InChIKeyLBVQCWSCVVKPQR-UHFFFAOYSA-N
XLogP4.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine?
The IUPAC name of N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine (CID 5328282) is N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine?
The canonical SMILES for N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine is CN(C)CCn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21.
What is the InChIKey of N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine?
The InChIKey is LBVQCWSCVVKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6/c1-25(2)6-7-26-18-10-17-16(8-13(18)11-23-26)19(22-12-21-17)24-15-5-3-4-14(20)9-15/h3-5,8-12H,6-7H2,1-2H3,(H,21,22,24).
What are the key properties of N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine?
N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine has a molecular weight of 411.31 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]pyrazolo[4,3-g]quinazolin-5-amine is sourced from PubChem (CID 5328282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).