7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

C9H8ClN3O2 — CID 168900207

IUPAC7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(Cl)ncc2c1=O
InChIInChI=1S/C9H8ClN3O2/c1-2-13-8(14)5-4-11-7(10)3-6(5)12-9(13)15/h3-4H,2H2,1H3,(H,12,15)
InChIKeyCQVVEMUKSINSNV-UHFFFAOYSA-N
MW225.63 g/mol
LogP0.76
Rot. Bonds1

About 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione

7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 168900207) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.63 g/mol. Its IUPAC name is 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID168900207
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63 g/mol
Exact Mass225.03
IUPAC Name7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]c2cc(Cl)ncc2c1=O
InChIInChI=1S/C9H8ClN3O2/c1-2-13-8(14)5-4-11-7(10)3-6(5)12-9(13)15/h3-4H,2H2,1H3,(H,12,15)
InChIKeyCQVVEMUKSINSNV-UHFFFAOYSA-N
XLogP0.76
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-3-ethyl-1H-quinazoline-2,4-dione
CID 94075078
3-ethyl-1,7,8,9-tetrahydro-[1,4]dioxepino[2,3-g]quinazoline-2,4-dione
CID 115587404
methyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 714468
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
1-benzyl-6-chloro-3H-imidazo[4,5-c]pyridin-2-one
CID 178075733
5,6-dichloro-1-ethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 114759819
6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
CID 90176744
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
methyl 3-ethyl-2,4-dioxo-1H-pyrido[3,2-d]pyrimidine-7-carboxylate
CID 168900268
1-pyrazin-2-ylethyl 3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 154749732

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione (CID 168900207) is 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is CCn1c(=O)[nH]c2cc(Cl)ncc2c1=O.
What is the InChIKey of 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is CQVVEMUKSINSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-2-13-8(14)5-4-11-7(10)3-6(5)12-9(13)15/h3-4H,2H2,1H3,(H,12,15).
What are the key properties of 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione?
7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 225.63 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 168900207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).