7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide

C9H6ClN3O3 — CID 173347854

IUPAC7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide
SMILESNC(=O)c1c(Cl)ccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H6ClN3O3/c10-4-2-1-3-6(5(4)7(11)14)12-9(16)13-8(3)15/h1-2H,(H2,11,14)(H2,12,13,15,16)
InChIKeyPAQOJKDLHGXCEE-UHFFFAOYSA-N
MW239.62 g/mol
LogP-0.03
Rot. Bonds1

About 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide

7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide (PubChem CID 173347854) has the molecular formula C9H6ClN3O3 and a molecular weight of 239.62 g/mol. Its IUPAC name is 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide.

Molecular Properties

Compound Name7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide
PubChem CID173347854
Molecular FormulaC9H6ClN3O3
Molecular Weight239.62 g/mol
Exact Mass239.01
IUPAC Name7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide
SMILESNC(=O)c1c(Cl)ccc2c(=O)[nH]c(=O)[nH]c12
InChIInChI=1S/C9H6ClN3O3/c10-4-2-1-3-6(5(4)7(11)14)12-9(16)13-8(3)15/h1-2H,(H2,11,14)(H2,12,13,15,16)
InChIKeyPAQOJKDLHGXCEE-UHFFFAOYSA-N
XLogP-0.03
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide?
The IUPAC name of 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide (CID 173347854) is 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide.
What is the SMILES notation for 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide?
The canonical SMILES for 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide is NC(=O)c1c(Cl)ccc2c(=O)[nH]c(=O)[nH]c12.
What is the InChIKey of 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide?
The InChIKey is PAQOJKDLHGXCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3/c10-4-2-1-3-6(5(4)7(11)14)12-9(16)13-8(3)15/h1-2H,(H2,11,14)(H2,12,13,15,16).
What are the key properties of 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide?
7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide has a molecular weight of 239.62 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,4-dioxo-1H-quinazoline-8-carboxamide is sourced from PubChem (CID 173347854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).