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

C23H24BrN5O — CID 5328290

IUPACN-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(ccn4CCCN4CCOCC4)cc23)c1
InChIInChI=1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27)
InChIKeyNFCOOGUSNHUTQY-UHFFFAOYSA-N
MW466.38 g/mol
LogP4.81
Rot. Bonds6

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

N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328290) has the molecular formula C23H24BrN5O and a molecular weight of 466.38 g/mol. Its IUPAC name is N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328290
Molecular FormulaC23H24BrN5O
Molecular Weight466.38 g/mol
Exact Mass465.12
IUPAC NameN-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3cc4c(ccn4CCCN4CCOCC4)cc23)c1
InChIInChI=1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27)
InChIKeyNFCOOGUSNHUTQY-UHFFFAOYSA-N
XLogP4.81
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine (CID 5328290) is N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine is Brc1cccc(Nc2ncnc3cc4c(ccn4CCCN4CCOCC4)cc23)c1.
What is the InChIKey of N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is NFCOOGUSNHUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrN5O/c24-18-3-1-4-19(14-18)27-23-20-13-17-5-8-29(22(17)15-21(20)25-16-26-23)7-2-6-28-9-11-30-12-10-28/h1,3-5,8,13-16H,2,6-7,9-12H2,(H,25,26,27).
What are the key properties of N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 466.38 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-8-(3-morpholin-4-ylpropyl)pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).