3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione

C18H18FN3O2 — CID 42956974

IUPAC3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)C(Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-21(2)16(12-6-5-7-13(19)10-12)11-22-17(23)14-8-3-4-9-15(14)20-18(22)24/h3-10,16H,11H2,1-2H3,(H,20,24)
InChIKeyWRCWCGFXOBWDHC-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.13
Rot. Bonds4

About 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione

3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione (PubChem CID 42956974) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
PubChem CID42956974
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione
SMILESCN(C)C(Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(F)c1
InChIInChI=1S/C18H18FN3O2/c1-21(2)16(12-6-5-7-13(19)10-12)11-22-17(23)14-8-3-4-9-15(14)20-18(22)24/h3-10,16H,11H2,1-2H3,(H,20,24)
InChIKeyWRCWCGFXOBWDHC-UHFFFAOYSA-N
XLogP2.13
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-quinazoline-2,4-dione
CID 30804945
3-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
CID 42956973
3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1H-quinazoline-2,4-dione
CID 39143122
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2,4-dioxoquinazolin-1-yl)acetamide
CID 30526206
N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 34457663
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
2-chloro-1-(3-fluorophenyl)-N,N-dimethylethanamine
CID 116907486
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42955940
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-fluorophenyl)propanamide
CID 4902210
3-(2,2,3-trimethylbutyl)-1H-quinazoline-2,4-dione
CID 69471578
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
3-(2-morpholin-4-yl-2-phenylethyl)-1H-quinazoline-2,4-dione
CID 42955495

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione (CID 42956974) is 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione is CN(C)C(Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(F)c1.
What is the InChIKey of 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is WRCWCGFXOBWDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-21(2)16(12-6-5-7-13(19)10-12)11-22-17(23)14-8-3-4-9-15(14)20-18(22)24/h3-10,16H,11H2,1-2H3,(H,20,24).
What are the key properties of 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione?
3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 327.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 42956974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).