2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid

C14H18N2O4 — CID 163958831

IUPAC2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)n1c(=O)[nH]c2c(c1=O)=CCCC=2
InChIInChI=1S/C14H18N2O4/c1-3-8(2)11(13(18)19)16-12(17)9-6-4-5-7-10(9)15-14(16)20/h6-8,11H,3-5H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySFRXEIBADVKAGI-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.44
Rot. Bonds4

About 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid

2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid (PubChem CID 163958831) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid
PubChem CID163958831
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)n1c(=O)[nH]c2c(c1=O)=CCCC=2
InChIInChI=1S/C14H18N2O4/c1-3-8(2)11(13(18)19)16-12(17)9-6-4-5-7-10(9)15-14(16)20/h6-8,11H,3-5H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySFRXEIBADVKAGI-UHFFFAOYSA-N
XLogP-0.44
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244
(2S,3S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 61132684
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 61172188
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069117
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methylpiperidine-2-carboxylic acid
CID 114421036

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid?
The IUPAC name of 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid (CID 163958831) is 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid?
The canonical SMILES for 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid is CCC(C)C(C(=O)O)n1c(=O)[nH]c2c(c1=O)=CCCC=2.
What is the InChIKey of 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid?
The InChIKey is SFRXEIBADVKAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-8(2)11(13(18)19)16-12(17)9-6-4-5-7-10(9)15-14(16)20/h6-8,11H,3-5H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid?
2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid has a molecular weight of 278.31 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-6,7-dihydro-1H-quinazolin-3-yl)-3-methylpentanoic acid is sourced from PubChem (CID 163958831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).