1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol

C19H20N2O4 — CID 118736449

IUPAC1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)(O)c2ncnc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-19(22,18-13-7-5-6-8-14(13)20-11-21-18)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,22H,1-4H3
InChIKeyKZAYRTDMWUMHQZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds5

About 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol

1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol (PubChem CID 118736449) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol
PubChem CID118736449
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol
SMILESCOc1cc(C(C)(O)c2ncnc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-19(22,18-13-7-5-6-8-14(13)20-11-21-18)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,22H,1-4H3
InChIKeyKZAYRTDMWUMHQZ-UHFFFAOYSA-N
XLogP2.91
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-phenylmethoxyphenyl)-1-quinazolin-4-ylethanol
CID 118736450
1-(2-methoxyphenyl)-1-quinolin-5-ylethanol
CID 81198597
1-bromo-1-(3,4,5-trimethoxyphenyl)ethanol
CID 175796351
2-hydroxy-2-phenyl-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 139609935
4-tert-butyl-5,6,7-trimethoxyquinazoline
CID 170974305
2,2,4,4-tetramethyl-3-(3,4,5-trimethoxyphenyl)pentan-3-ol
CID 23270185
2-(3,4-dimethoxy-5-methylphenyl)propan-2-ol
CID 117300512
2-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]propan-2-ol
CID 117404583
N-[(3,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 21002356
1-amino-2-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 71778100
1-(2-methoxyphenyl)-1-quinolin-3-ylethanol
CID 60924956
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459

Frequently Asked Questions

What is the IUPAC name of 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol?
The IUPAC name of 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol (CID 118736449) is 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol.
What is the SMILES notation for 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol?
The canonical SMILES for 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol is COc1cc(C(C)(O)c2ncnc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol?
The InChIKey is KZAYRTDMWUMHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-19(22,18-13-7-5-6-8-14(13)20-11-21-18)12-9-15(23-2)17(25-4)16(10-12)24-3/h5-11,22H,1-4H3.
What are the key properties of 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol?
1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol has a molecular weight of 340.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinazolin-4-yl-1-(3,4,5-trimethoxyphenyl)ethanol is sourced from PubChem (CID 118736449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).