6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

C10H8BrN5 — CID 177334868

IUPAC6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(cc(Br)c3nccc32)[nH]1
InChIInChI=1S/C10H8BrN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16)
InChIKeyYZAHABSDJVEUFU-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.04
Rot. Bonds

About 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine

6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (PubChem CID 177334868) has the molecular formula C10H8BrN5 and a molecular weight of 278.11 g/mol. Its IUPAC name is 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.

Molecular Properties

Compound Name6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
PubChem CID177334868
Molecular FormulaC10H8BrN5
Molecular Weight278.11 g/mol
Exact Mass277.00
IUPAC Name6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine
SMILESNc1nc(N)c2c(cc(Br)c3nccc32)[nH]1
InChIInChI=1S/C10H8BrN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16)
InChIKeyYZAHABSDJVEUFU-UHFFFAOYSA-N
XLogP2.04
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4H-pyrrolo[3,2-f]quinazolin-3-amine
CID 146681376
5-bromo-4-(bromomethyl)-1H-benzimidazol-2-amine
CID 130883683
4-chloro-1H-imidazo[4,5-c]pyridin-2-amine
CID 89405485
1-amino-8-bromo-5H-pyrido[4,3-b]indole-3-carboxamide
CID 68716143
4-(5-bromo-4-methyl-1H-pyrrol-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine
CID 45485513
4-[4-bromo-5-(4-phenylphenyl)-1H-pyrrol-2-yl]-1H-imidazo[4,5-c]pyridin-2-amine
CID 45485508
4-bromo-5-methyl-1H-benzimidazol-2-amine
CID 130051699
4,6-dibromo-10-methylpyrido[3,2-g]quinoline
CID 102458232
4-bromo-5-methoxy-1H-benzimidazol-2-amine
CID 118526223
5-chloro-4-methyl-1H-benzimidazol-2-amine
CID 84618510
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
8-bromo-11,13-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaene
CID 134348755

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The IUPAC name of 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine (CID 177334868) is 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine.
What is the SMILES notation for 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The canonical SMILES for 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is Nc1nc(N)c2c(cc(Br)c3nccc32)[nH]1.
What is the InChIKey of 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
The InChIKey is YZAHABSDJVEUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5/c11-5-3-6-7(4-1-2-14-8(4)5)9(12)16-10(13)15-6/h1-3H,12H2,(H3,13,15,16).
What are the key properties of 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine?
6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine has a molecular weight of 278.11 g/mol, XLogP of 2.04, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4H-pyrrolo[3,2-f]quinazoline-1,3-diamine is sourced from PubChem (CID 177334868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).