6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione

C19H17ClN2O3 — CID 123558614

IUPAC6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione
SMILESCC(=Cc1ccccc1)COCn1c(=O)[nH]c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O3/c1-13(9-14-5-3-2-4-6-14)11-25-12-22-17-8-7-15(20)10-16(17)18(23)21-19(22)24/h2-10H,11-12H2,1H3,(H,21,23,24)
InChIKeyHNUYUCYDXUGXIS-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.42
Rot. Bonds5

About 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione

6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione (PubChem CID 123558614) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione
PubChem CID123558614
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione
SMILESCC(=Cc1ccccc1)COCn1c(=O)[nH]c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C19H17ClN2O3/c1-13(9-14-5-3-2-4-6-14)11-25-12-22-17-8-7-15(20)10-16(17)18(23)21-19(22)24/h2-10H,11-12H2,1H3,(H,21,23,24)
InChIKeyHNUYUCYDXUGXIS-UHFFFAOYSA-N
XLogP3.42
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,5-dichlorophenyl)methyl]-5-ethyl-1-[[(E)-2-methyl-3-phenylprop-2-enoxy]methyl]pyrimidine-2,4-dione
CID 5279588
6-chloro-1-(cyclohex-3-en-1-ylmethoxymethyl)quinazoline-2,4-dione
CID 24740974
6-chloro-1-(2,2,2-trifluoroethyl)quinazoline-2,4-dione
CID 22347996
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
6-chloro-2-[(1Z,3Z)-1-chloro-3-methyl-4-phenylbuta-1,3-dienyl]-3H-quinazolin-4-one
CID 136730776
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
6-chloro-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087747
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
10-benzyl-2-chloro-7-methylacridin-9-one
CID 139792411
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
1-ethylquinazoline-2,4-dione
CID 825310

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione?
The IUPAC name of 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione (CID 123558614) is 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione?
The canonical SMILES for 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione is CC(=Cc1ccccc1)COCn1c(=O)[nH]c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione?
The InChIKey is HNUYUCYDXUGXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-13(9-14-5-3-2-4-6-14)11-25-12-22-17-8-7-15(20)10-16(17)18(23)21-19(22)24/h2-10H,11-12H2,1H3,(H,21,23,24).
What are the key properties of 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione?
6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione has a molecular weight of 356.81 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[(2-methyl-3-phenylprop-2-enoxy)methyl]quinazoline-2,4-dione is sourced from PubChem (CID 123558614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).