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

C21H22BrN5 — CID 5328288

IUPACN-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25)
InChIKeyKSESIAIRSPHRBJ-UHFFFAOYSA-N
MW424.35 g/mol
LogP5.04
Rot. Bonds6

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

N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328288) has the molecular formula C21H22BrN5 and a molecular weight of 424.35 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328288
Molecular FormulaC21H22BrN5
Molecular Weight424.35 g/mol
Exact Mass423.11
IUPAC NameN-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21
InChIInChI=1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25)
InChIKeyKSESIAIRSPHRBJ-UHFFFAOYSA-N
XLogP5.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.35
LogP ≤ 55.04
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-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine (CID 5328288) is N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine is CN(C)CCCn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21.
What is the InChIKey of N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is KSESIAIRSPHRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25).
What are the key properties of N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 424.35 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).