6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

C17H14BrN5 — CID 11383037

IUPAC6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C17H14BrN5/c1-23-7-6-11-14-13(21-17(20)22-16(14)19)8-12(15(11)23)9-2-4-10(18)5-3-9/h2-8H,1H3,(H4,19,20,21,22)
InChIKeyRULUDQKEYHFNRP-UHFFFAOYSA-N
MW368.24 g/mol
LogP3.72
Rot. Bonds1

About 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine

6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 11383037) has the molecular formula C17H14BrN5 and a molecular weight of 368.24 g/mol. Its IUPAC name is 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID11383037
Molecular FormulaC17H14BrN5
Molecular Weight368.24 g/mol
Exact Mass367.04
IUPAC Name6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESCn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(Br)cc3)c21
InChIInChI=1S/C17H14BrN5/c1-23-7-6-11-14-13(21-17(20)22-16(14)19)8-12(15(11)23)9-2-4-10(18)5-3-9/h2-8H,1H3,(H4,19,20,21,22)
InChIKeyRULUDQKEYHFNRP-UHFFFAOYSA-N
XLogP3.72
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.24
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine (CID 11383037) is 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(Br)cc3)c21.
What is the InChIKey of 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is RULUDQKEYHFNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5/c1-23-7-6-11-14-13(21-17(20)22-16(14)19)8-12(15(11)23)9-2-4-10(18)5-3-9/h2-8H,1H3,(H4,19,20,21,22).
What are the key properties of 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine?
6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 368.24 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 11383037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).