N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine

C20H20BrN5 — CID 5328287

IUPACN-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,23,24)
InChIKeyPUGPTATVELXSCS-UHFFFAOYSA-N
MW410.32 g/mol
LogP4.65
Rot. Bonds5

About N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine

N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328287) has the molecular formula C20H20BrN5 and a molecular weight of 410.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328287
Molecular FormulaC20H20BrN5
Molecular Weight410.32 g/mol
Exact Mass409.09
IUPAC NameN-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,23,24)
InChIKeyPUGPTATVELXSCS-UHFFFAOYSA-N
XLogP4.65
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine (CID 5328287) is N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine is CN(C)CCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21.
What is the InChIKey of N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is PUGPTATVELXSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5/c1-25(2)8-9-26-7-6-14-10-17-18(12-19(14)26)22-13-23-20(17)24-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 410.32 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).