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

C19H18BrN5 — CID 5328293

IUPACN-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
InChIInChI=1S/C19H18BrN5/c1-25(2)10-12-9-21-17-8-18-16(7-15(12)17)19(23-11-22-18)24-14-5-3-4-13(20)6-14/h3-9,11,21H,10H2,1-2H3,(H,22,23,24)
InChIKeyIGDHQJMAOBJFFR-UHFFFAOYSA-N
MW396.29 g/mol
LogP4.68
Rot. Bonds4

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

N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine (PubChem CID 5328293) has the molecular formula C19H18BrN5 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
PubChem CID5328293
Molecular FormulaC19H18BrN5
Molecular Weight396.29 g/mol
Exact Mass395.07
IUPAC NameN-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
SMILESCN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
InChIInChI=1S/C19H18BrN5/c1-25(2)10-12-9-21-17-8-18-16(7-15(12)17)19(23-11-22-18)24-14-5-3-4-13(20)6-14/h3-9,11,21H,10H2,1-2H3,(H,22,23,24)
InChIKeyIGDHQJMAOBJFFR-UHFFFAOYSA-N
XLogP4.68
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine (CID 5328293) is N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine is CN(C)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12.
What is the InChIKey of N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine?
The InChIKey is IGDHQJMAOBJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5/c1-25(2)10-12-9-21-17-8-18-16(7-15(12)17)19(23-11-22-18)24-14-5-3-4-13(20)6-14/h3-9,11,21H,10H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine?
N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine has a molecular weight of 396.29 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-[(dimethylamino)methyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine is sourced from PubChem (CID 5328293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).