2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile

C18H13F2N3O3 — CID 170773711

IUPAC2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile
SMILESCCn1c(=O)[nH]c2cc(-c3cc(OC)c(F)cc3C#N)c(F)cc2c1=O
InChIInChI=1S/C18H13F2N3O3/c1-3-23-17(24)12-5-13(19)11(6-15(12)22-18(23)25)10-7-16(26-2)14(20)4-9(10)8-21/h4-7H,3H2,1-2H3,(H,22,25)
InChIKeyDYMFDNGLDZFDAO-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.54
Rot. Bonds3

About 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile

2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile (PubChem CID 170773711) has the molecular formula C18H13F2N3O3 and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile
PubChem CID170773711
Molecular FormulaC18H13F2N3O3
Molecular Weight357.32 g/mol
Exact Mass357.09
IUPAC Name2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile
SMILESCCn1c(=O)[nH]c2cc(-c3cc(OC)c(F)cc3C#N)c(F)cc2c1=O
InChIInChI=1S/C18H13F2N3O3/c1-3-23-17(24)12-5-13(19)11(6-15(12)22-18(23)25)10-7-16(26-2)14(20)4-9(10)8-21/h4-7H,3H2,1-2H3,(H,22,25)
InChIKeyDYMFDNGLDZFDAO-UHFFFAOYSA-N
XLogP2.54
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile with MolForge

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Related Compounds

2-(3-ethyl-2,4-dioxo-1H-thieno[3,2-d]pyrimidin-6-yl)-4-methoxybenzonitrile
CID 170773738
3-ethyl-6-fluoro-8-methoxy-1H-quinazoline-2,4-dione
CID 114589090
6,7-dimethoxy-3-propyl-1H-quinazoline-2,4-dione
CID 94075074
7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
CID 167818036
6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
7-(2-chloro-4-fluoro-5-methoxyphenyl)-6-fluoro-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772818
5-fluoro-4-methoxy-2-(methoxymethyl)benzonitrile
CID 117284977
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
3-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55958523
ethyl 2-[6-fluoro-7-(1H-imidazol-2-yl)-2,4-dioxo-1H-quinazolin-3-yl]acetate
CID 19744055
N-(5-chloro-2,4-dimethoxyphenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811394

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile?
The IUPAC name of 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile (CID 170773711) is 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile.
What is the SMILES notation for 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile?
The canonical SMILES for 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile is CCn1c(=O)[nH]c2cc(-c3cc(OC)c(F)cc3C#N)c(F)cc2c1=O.
What is the InChIKey of 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile?
The InChIKey is DYMFDNGLDZFDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O3/c1-3-23-17(24)12-5-13(19)11(6-15(12)22-18(23)25)10-7-16(26-2)14(20)4-9(10)8-21/h4-7H,3H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile?
2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile has a molecular weight of 357.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-fluoro-2,4-dioxo-1H-quinazolin-7-yl)-5-fluoro-4-methoxybenzonitrile is sourced from PubChem (CID 170773711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).