2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol

C21H22BrN5O2 — CID 5328292

IUPAC2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
InChIInChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26)
InChIKeyOSXILVFPMQVTSK-UHFFFAOYSA-N
MW456.34 g/mol
LogP3.40
Rot. Bonds8

About 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 5328292) has the molecular formula C21H22BrN5O2 and a molecular weight of 456.34 g/mol. Its IUPAC name is 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID5328292
Molecular FormulaC21H22BrN5O2
Molecular Weight456.34 g/mol
Exact Mass455.10
IUPAC Name2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12
InChIInChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26)
InChIKeyOSXILVFPMQVTSK-UHFFFAOYSA-N
XLogP3.40
TPSA97.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.34
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328242
N-(3-bromophenyl)-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328243
N-(3-bromophenyl)-1-methyl-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328280
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
Ethanol, 2,2'-((3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)propyl)imino)di-, hydrate (2:1)
CID 3068867
2-[({4-[(3-bromophenyl)amino]-8H-pyrrolo[3,2-g]quinazolin-6-yl}methyl)(methyl)amino]acetic acid
CID 5328297
2-({4-[(3-Bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)ethan-1-ol
CID 5328299
2-Propanol, 1-(diethylamino)-3-((6-methyl-5H-pyrido(3',4':4,5)pyrrolo(2,3-g)isoquinolin-10-yl)amino)-, trimaleate
CID 158473
3-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}propane-1,2-diol
CID 5328281
N-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328282
N-(3-bromophenyl)-1-[2-(morpholin-4-yl)ethyl]-1H-pyrazolo[4,3-g]quinazolin-5-amine
CID 5328283
2-{5-[(3-bromophenyl)amino]-1H-pyrazolo[4,3-g]quinazolin-1-yl}acetic acid
CID 5328284

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 5328292) is 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1c[nH]c2cc3ncnc(Nc4cccc(Br)c4)c3cc12.
What is the InChIKey of 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OSXILVFPMQVTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O2/c22-15-2-1-3-16(8-15)26-21-18-9-17-14(12-27(4-6-28)5-7-29)11-23-19(17)10-20(18)24-13-25-21/h1-3,8-11,13,23,28-29H,4-7,12H2,(H,24,25,26).
What are the key properties of 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 456.34 g/mol, XLogP of 3.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-bromoanilino)-8H-pyrrolo[3,2-g]quinazolin-6-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 5328292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).