3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid

C14H14N2O4 — CID 167997143

IUPAC3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid
SMILESO=C(O)C1=CC2=NC(=O)N(C3CCCC3)C(=O)C2C=C1
InChIInChI=1S/C14H14N2O4/c17-12-10-6-5-8(13(18)19)7-11(10)15-14(20)16(12)9-3-1-2-4-9/h5-7,9-10H,1-4H2,(H,18,19)
InChIKeyFYKRMLIEURDCPL-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.53
Rot. Bonds2

About 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid

3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid (PubChem CID 167997143) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid
PubChem CID167997143
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid
SMILESO=C(O)C1=CC2=NC(=O)N(C3CCCC3)C(=O)C2C=C1
InChIInChI=1S/C14H14N2O4/c17-12-10-6-5-8(13(18)19)7-11(10)15-14(20)16(12)9-3-1-2-4-9/h5-7,9-10H,1-4H2,(H,18,19)
InChIKeyFYKRMLIEURDCPL-UHFFFAOYSA-N
XLogP1.53
TPSA87.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid (CID 167997143) is 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid is O=C(O)C1=CC2=NC(=O)N(C3CCCC3)C(=O)C2C=C1.
What is the InChIKey of 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid?
The InChIKey is FYKRMLIEURDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12-10-6-5-8(13(18)19)7-11(10)15-14(20)16(12)9-3-1-2-4-9/h5-7,9-10H,1-4H2,(H,18,19).
What are the key properties of 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid?
3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2,4-dioxo-4aH-quinazoline-7-carboxylic acid is sourced from PubChem (CID 167997143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).