2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid

C18H14F2N2O3 — CID 58788366

IUPAC2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccc(F)c(F)c2)nc(=O)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c19-13-7-5-11(9-14(13)20)6-8-16-21-18(25)12-3-1-2-4-15(12)22(16)10-17(23)24/h1-5,7,9H,6,8,10H2,(H,23,24)
InChIKeyYWRMOFWVQWYMKG-UHFFFAOYSA-N
MW344.32 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid

2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid (PubChem CID 58788366) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid
PubChem CID58788366
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid
SMILESO=C(O)Cn1c(CCc2ccc(F)c(F)c2)nc(=O)c2ccccc21
InChIInChI=1S/C18H14F2N2O3/c19-13-7-5-11(9-14(13)20)6-8-16-21-18(25)12-3-1-2-4-15(12)22(16)10-17(23)24/h1-5,7,9H,6,8,10H2,(H,23,24)
InChIKeyYWRMOFWVQWYMKG-UHFFFAOYSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-oxo-2-(2-phenylethyl)quinazolin-1-yl]acetic acid
CID 58788257
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]acetic acid
CID 23614321
2-[6-methyl-4-oxo-2-[2-(2,3,4-trifluorophenyl)ethyl]quinazolin-1-yl]acetic acid
CID 58733230
N-[2-(diethylamino)ethyl]-2-[4-oxo-2-[2-(3,4,5-trifluorophenyl)ethyl]quinazolin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 44535429
2-[5,6-dimethyl-2-(2-phenylethyl)benzimidazol-1-yl]acetic acid
CID 94748100
N-[2-(diethylamino)ethyl]-2-[2-[2-(2,6-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 69157921
N-[2-(diethylamino)ethyl]-2-[4-oxo-2-[2-(2,3,6-trifluorophenyl)ethyl]quinazolin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 70688562
2-[4-methyl-9-oxo-3-(2-phenylethyl)acridin-10-yl]acetic acid
CID 138658257
N-[2-(diethylamino)ethyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]-N-[[4-(4-methylsulfanylphenyl)phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 69216475
N-[(3,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 60598710
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-N-[2-(diethylamino)ethyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetamide;2,3-dihydroxybutanedioic acid
CID 56671643
N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-N-[2-(diethylamino)ethyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetamide
CID 44535829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid?
The IUPAC name of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid (CID 58788366) is 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid?
The canonical SMILES for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid is O=C(O)Cn1c(CCc2ccc(F)c(F)c2)nc(=O)c2ccccc21.
What is the InChIKey of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid?
The InChIKey is YWRMOFWVQWYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-13-7-5-11(9-14(13)20)6-8-16-21-18(25)12-3-1-2-4-15(12)22(16)10-17(23)24/h1-5,7,9H,6,8,10H2,(H,23,24).
What are the key properties of 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid?
2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid has a molecular weight of 344.32 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,4-difluorophenyl)ethyl]-4-oxoquinazolin-1-yl]acetic acid is sourced from PubChem (CID 58788366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).