2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one

C19H17ClN2O2 — CID 137270114

IUPAC2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCC(C)Oc1ccc(/C=C(/Cl)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12(2)24-14-9-7-13(8-10-14)11-16(20)18-21-17-6-4-3-5-15(17)19(23)22-18/h3-12H,1-2H3,(H,21,22,23)/b16-11+
InChIKeyHICPUAFLKHIIMZ-LFIBNONCSA-N
MW340.81 g/mol
LogP4.45
Rot. Bonds4

About 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one

2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one (PubChem CID 137270114) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one
PubChem CID137270114
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one
SMILESCC(C)Oc1ccc(/C=C(/Cl)c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-12(2)24-14-9-7-13(8-10-14)11-16(20)18-21-17-6-4-3-5-15(17)19(23)22-18/h3-12H,1-2H3,(H,21,22,23)/b16-11+
InChIKeyHICPUAFLKHIIMZ-LFIBNONCSA-N
XLogP4.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-1-chloro-2-(4-propan-2-ylphenyl)ethenyl]-3H-quinazolin-4-one
CID 135789519
2-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3H-quinazolin-4-one
CID 135847750
2-[(Z)-1-chloro-2-[3-[(Z)-2-chloro-2-(4-oxo-3H-quinazolin-2-yl)ethenyl]phenyl]ethenyl]-3H-quinazolin-4-one
CID 135868153
2-[(E)-1-chloro-2-(2-phenylpyrimidin-5-yl)ethenyl]-3H-quinazolin-4-one
CID 135960496
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
2-[(Z)-1-chloro-2-(2,4-dichlorophenyl)ethenyl]-3H-quinazolin-4-one
CID 137300044
2-[(Z)-1-chloro-2-[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-3H-quinazolin-4-one
CID 135938950
2-[(Z)-1-chloro-2-(3-chloro-5-ethoxy-4-hydroxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135612820
2-[(E)-2-(1-benzylpyrazol-4-yl)-1-chloroethenyl]-3H-quinazolin-4-one
CID 135996402
7-chloro-2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135809710
2-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135789434
(Z)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(4-oxo-3H-quinazolin-2-yl)prop-2-enenitrile
CID 136822103

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one (CID 137270114) is 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one is CC(C)Oc1ccc(/C=C(/Cl)c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one?
The InChIKey is HICPUAFLKHIIMZ-LFIBNONCSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-12(2)24-14-9-7-13(8-10-14)11-16(20)18-21-17-6-4-3-5-15(17)19(23)22-18/h3-12H,1-2H3,(H,21,22,23)/b16-11+.
What are the key properties of 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one?
2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one has a molecular weight of 340.81 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-chloro-2-(4-propan-2-yloxyphenyl)ethenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137270114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).