(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid

C18H16N2O4 — CID 93142932

IUPAC(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
SMILESCc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)O)c2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11-6-5-7-13(10-11)20-16(21)14-8-3-4-9-15(14)19(18(20)24)12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyPBMMHYZPZPJKLU-GFCCVEGCSA-N
MW324.34 g/mol
LogP2.11
Rot. Bonds3

About (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid

(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid (PubChem CID 93142932) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
PubChem CID93142932
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
SMILESCc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)O)c2=O)c1
InChIInChI=1S/C18H16N2O4/c1-11-6-5-7-13(10-11)20-16(21)14-8-3-4-9-15(14)19(18(20)24)12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)/t12-/m1/s1
InChIKeyPBMMHYZPZPJKLU-GFCCVEGCSA-N
XLogP2.11
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 42811703
7-chloro-1-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(3-methylphenyl)quinazoline-2,4-dione
CID 42812067
2-[3-(3,4-dimethylphenyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)propanamide
CID 42811751
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 24718369
N-(furan-2-ylmethyl)-2-[3-(3-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 46135503
(2S)-N-[(2R)-butan-2-yl]-2-[7-chloro-3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]butanamide
CID 93302210
(2R)-2-[3-(3-acetylphenyl)-2,4-dioxoquinazolin-1-yl]-N-[(1S)-1-phenylethyl]butanamide
CID 93289051
ethane;9-(3-methylphenyl)carbazole
CID 143904684
2-[7-chloro-3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid
CID 42810737
2-(3-bromo-2-methylindol-1-yl)propanoic acid
CID 62828881
2-[[4-(3-methylphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 2115494
N-butan-2-yl-2-[3-(3-chloro-4-fluorophenyl)-2,4-dioxoquinazolin-1-yl]propanamide
CID 42811763

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The IUPAC name of (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid (CID 93142932) is (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The canonical SMILES for (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid is Cc1cccc(-n2c(=O)c3ccccc3n([C@H](C)C(=O)O)c2=O)c1.
What is the InChIKey of (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
The InChIKey is PBMMHYZPZPJKLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-11-6-5-7-13(10-11)20-16(21)14-8-3-4-9-15(14)19(18(20)24)12(2)17(22)23/h3-10,12H,1-2H3,(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid?
(2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-methylphenyl)-2,4-dioxoquinazolin-1-yl]propanoic acid is sourced from PubChem (CID 93142932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).