1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol

C16H13BrN2O2 — CID 167985590

IUPAC1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
SMILESOC(COc1ccc2cncnc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2/c17-13-3-1-2-11(6-13)16(20)9-21-14-5-4-12-8-18-10-19-15(12)7-14/h1-8,10,16,20H,9H2
InChIKeyYAAHSEQHPLCKGG-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol

1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol (PubChem CID 167985590) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
PubChem CID167985590
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol
SMILESOC(COc1ccc2cncnc2c1)c1cccc(Br)c1
InChIInChI=1S/C16H13BrN2O2/c17-13-3-1-2-11(6-13)16(20)9-21-14-5-4-12-8-18-10-19-15(12)7-14/h1-8,10,16,20H,9H2
InChIKeyYAAHSEQHPLCKGG-UHFFFAOYSA-N
XLogP3.50
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-bromophenyl)-2-hydroxyethoxy]phenol
CID 117242764
1-(3-methylphenyl)-2-quinolin-7-yloxyethanol
CID 107314538
3-[2-(3-bromophenyl)-2-hydroxyethoxy]benzamide
CID 109416216
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
6-(3-bromophenyl)pyrido[3,2-d]pyrimidine
CID 172552156
(1R)-1-(4-chlorophenyl)-2-isoquinolin-7-yloxyethanol
CID 167764455
(3S)-3-(3-bromophenyl)-3-hydroxypropanoic acid
CID 11673188
7-[(1R)-1-(4-methoxyphenyl)ethyl]quinazoline
CID 151497293
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
1-(3-bromophenyl)butan-1-ol
CID 18417756
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
1-(3-bromophenyl)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 62606496

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol?
The IUPAC name of 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol (CID 167985590) is 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol is OC(COc1ccc2cncnc2c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol?
The InChIKey is YAAHSEQHPLCKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c17-13-3-1-2-11(6-13)16(20)9-21-14-5-4-12-8-18-10-19-15(12)7-14/h1-8,10,16,20H,9H2.
What are the key properties of 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol?
1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol has a molecular weight of 345.20 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-quinazolin-7-yloxyethanol is sourced from PubChem (CID 167985590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).