2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol

C18H18BrN3O2 — CID 4714154

IUPAC2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3O2/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)21-18(20-16)22(8-10-23)9-11-24/h1-7,12,23-24H,8-11H2
InChIKeyDOMOAOKMYQMNMI-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.85
Rot. Bonds6

About 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol

2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 4714154) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID4714154
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H18BrN3O2/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)21-18(20-16)22(8-10-23)9-11-24/h1-7,12,23-24H,8-11H2
InChIKeyDOMOAOKMYQMNMI-UHFFFAOYSA-N
XLogP2.85
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol with MolForge

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Related Compounds

2-({2-[(4-Bromophenyl)amino]-4-quinazolinyl}amino)ethanol hydrochloride
CID 2952991
2-[(4-Phenylquinazolin-2-yl)amino]ethanol
CID 661382
6-Bromo-2-methoxy-4-phenylquinazoline
CID 746070
3-[[6-Bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile
CID 146027026
2-[(6-Bromo-4-phenylquinazolin-2-yl)amino]ethanol
CID 1917223
2-[(6-Bromoquinazolin-4-yl)amino]ethanol
CID 647709
6-bromo-N,N-diethylquinazolin-4-amine
CID 728962
6-bromo-N-(4-morpholinophenyl)quinazolin-4-amine
CID 1189450
N,N-bis(2-methoxyethyl)-2-phenylquinazolin-4-amine
CID 1564647
2-{[2-(Phenylamino)quinazolin-4-yl]amino}ethanol
CID 1816791
2-[[2-(4-Bromoanilino)-4-quinazolinyl]amino]ethanol;hydrochloride
CID 2203009
4-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline
CID 71542984

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol (CID 4714154) is 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1nc(-c2ccccc2)c2cc(Br)ccc2n1.
What is the InChIKey of 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is DOMOAOKMYQMNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c19-14-6-7-16-15(12-14)17(13-4-2-1-3-5-13)21-18(20-16)22(8-10-23)9-11-24/h1-7,12,23-24H,8-11H2.
What are the key properties of 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 388.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-4-phenylquinazolin-2-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 4714154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).