6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one

C18H14ClFN2O3 — CID 153119130

IUPAC6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one
SMILESCOc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1
InChIInChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24)
InChIKeyVUMPEXBCTBOBNX-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.54
Rot. Bonds5

About 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one

6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one (PubChem CID 153119130) has the molecular formula C18H14ClFN2O3 and a molecular weight of 360.77 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one
PubChem CID153119130
Molecular FormulaC18H14ClFN2O3
Molecular Weight360.77 g/mol
Exact Mass360.07
IUPAC Name6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one
SMILESCOc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1
InChIInChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24)
InChIKeyVUMPEXBCTBOBNX-UHFFFAOYSA-N
XLogP3.54
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)quinazolin-4(3H)-one
CID 135486399
5-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135996010
2-(4-chlorophenyl)-8-methoxy-3H-quinazolin-4-one
CID 136227775
6-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136379527
6-Chloro-3-(2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl)-3H-quinazolin-4-one
CID 3428968
2-[3-(3-methoxyphenyl)propanoyl]-6-methyl-3H-quinazolin-4-one
CID 137100934
6-fluoro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135407319
6-chloro-2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135461727
6-Chloro-3-hydroxy-2-(2-methoxyphenyl)quinazolin-4-one
CID 3809383
2-[(E)-2-(3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135767723
2-[3-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 137646875
N-(3-methoxybenzyl)-5,6-difluoro-4-oxo-3,4-dihydroquinazoline-2-carboxamide
CID 136340356

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one (CID 153119130) is 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one is COc1cccc(CCC(=O)c2nc3ccc(Cl)c(F)c3c(=O)[nH]2)c1.
What is the InChIKey of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?
The InChIKey is VUMPEXBCTBOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O3/c1-25-11-4-2-3-10(9-11)5-8-14(23)17-21-13-7-6-12(19)16(20)15(13)18(24)22-17/h2-4,6-7,9H,5,8H2,1H3,(H,21,22,24).
What are the key properties of 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one?
6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one has a molecular weight of 360.77 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-[3-(3-methoxyphenyl)propanoyl]-3H-quinazolin-4-one is sourced from PubChem (CID 153119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).