2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide

C9H11N3O3 — CID 68859178

IUPAC2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide
SMILESNC(=O)C1CCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C9H11N3O3/c10-7(13)4-2-1-3-5-6(4)11-9(15)12-8(5)14/h4H,1-3H2,(H2,10,13)(H2,11,12,14,15)
InChIKeyIRWGMFRHKLJAQN-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.03
Rot. Bonds1

About 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide

2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide (PubChem CID 68859178) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide
PubChem CID68859178
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide
SMILESNC(=O)C1CCCc2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C9H11N3O3/c10-7(13)4-2-1-3-5-6(4)11-9(15)12-8(5)14/h4H,1-3H2,(H2,10,13)(H2,11,12,14,15)
InChIKeyIRWGMFRHKLJAQN-UHFFFAOYSA-N
XLogP-1.03
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide?
The IUPAC name of 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide (CID 68859178) is 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide.
What is the SMILES notation for 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide?
The canonical SMILES for 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide is NC(=O)C1CCCc2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide?
The InChIKey is IRWGMFRHKLJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c10-7(13)4-2-1-3-5-6(4)11-9(15)12-8(5)14/h4H,1-3H2,(H2,10,13)(H2,11,12,14,15).
What are the key properties of 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide?
2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide has a molecular weight of 209.20 g/mol, XLogP of -1.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5,6,7,8-tetrahydro-1H-quinazoline-8-carboxamide is sourced from PubChem (CID 68859178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).