N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine

C21H20BrN5O — CID 5328294

IUPACN-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1
InChIInChI=1S/C21H20BrN5O/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27-4-6-28-7-5-27)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23H,4-7,12H2,(H,24,25,26)
InChIKeyGQMMJLLDUVOKED-UHFFFAOYSA-N
MW438.33 g/mol
LogP4.45
Rot. Bonds4

About N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine

N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328294) has the molecular formula C21H20BrN5O and a molecular weight of 438.33 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328294
Molecular FormulaC21H20BrN5O
Molecular Weight438.33 g/mol
Exact Mass437.09
IUPAC NameN-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1
InChIInChI=1S/C21H20BrN5O/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27-4-6-28-7-5-27)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23H,4-7,12H2,(H,24,25,26)
InChIKeyGQMMJLLDUVOKED-UHFFFAOYSA-N
XLogP4.45
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine (CID 5328294) is N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is GQMMJLLDUVOKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN5O/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27-4-6-28-7-5-27)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23H,4-7,12H2,(H,24,25,26).
What are the key properties of N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 438.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(morpholin-4-ylmethyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).