2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol

C10H9BrClN3O — CID 172603441

IUPAC2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nc2cc(Br)ccc12
InChIInChI=1S/C10H9BrClN3O/c11-6-1-2-7-8(5-6)14-10(12)15-9(7)13-3-4-16/h1-2,5,16H,3-4H2,(H,13,14,15)
InChIKeyJPQMZTGTZTZMDH-UHFFFAOYSA-N
MW302.56 g/mol
LogP2.45
Rot. Bonds3

About 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol

2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol (PubChem CID 172603441) has the molecular formula C10H9BrClN3O and a molecular weight of 302.56 g/mol. Its IUPAC name is 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol
PubChem CID172603441
Molecular FormulaC10H9BrClN3O
Molecular Weight302.56 g/mol
Exact Mass300.96
IUPAC Name2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol
SMILESOCCNc1nc(Cl)nc2cc(Br)ccc12
InChIInChI=1S/C10H9BrClN3O/c11-6-1-2-7-8(5-6)14-10(12)15-9(7)13-3-4-16/h1-2,5,16H,3-4H2,(H,13,14,15)
InChIKeyJPQMZTGTZTZMDH-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-chloro-6-methylpyrimidin-4-yl)amino]ethanol
CID 175104832
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
N-(5-bromo-2-chlorophenyl)-2-chloroquinazolin-4-amine
CID 63548575
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
N-[2-(2-bromophenyl)ethyl]-2-chloroquinazolin-4-amine
CID 142747337
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
CID 167350764
2-[(2,6-dichloroquinazolin-4-yl)amino]ethanesulfonamide
CID 45380048
6-bromo-2-chloro-N-propan-2-ylquinazolin-4-amine
CID 114692800
2-[[2-amino-7-(2,6-dichlorophenyl)quinazolin-4-yl]amino]ethanol;2-[[2-amino-7-(2,6-difluorophenyl)quinazolin-4-yl]amino]ethanol
CID 69467205
2-[(2-amino-6,7-dimethoxyquinazolin-4-yl)amino]ethanol
CID 57342964
N-butyl-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22692586
7-bromo-2-chloro-4-pyrrolidin-1-ylquinazoline
CID 114693019

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol?
The IUPAC name of 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol (CID 172603441) is 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol is OCCNc1nc(Cl)nc2cc(Br)ccc12.
What is the InChIKey of 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol?
The InChIKey is JPQMZTGTZTZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O/c11-6-1-2-7-8(5-6)14-10(12)15-9(7)13-3-4-16/h1-2,5,16H,3-4H2,(H,13,14,15).
What are the key properties of 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol?
2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol has a molecular weight of 302.56 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-2-chloroquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 172603441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).