propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate

C11H10ClN3O3 — CID 135395745

IUPACpropan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCC(C)OC(=O)c1c[nH]c2cnc(Cl)nc2c1=O
InChIInChI=1S/C11H10ClN3O3/c1-5(2)18-10(17)6-3-13-7-4-14-11(12)15-8(7)9(6)16/h3-5H,1-2H3,(H,13,16)
InChIKeyHWKRKZCTIBCTCR-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.54
Rot. Bonds2

About propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate

propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate (PubChem CID 135395745) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate
PubChem CID135395745
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Namepropan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate
SMILESCC(C)OC(=O)c1c[nH]c2cnc(Cl)nc2c1=O
InChIInChI=1S/C11H10ClN3O3/c1-5(2)18-10(17)6-3-13-7-4-14-11(12)15-8(7)9(6)16/h3-5H,1-2H3,(H,13,16)
InChIKeyHWKRKZCTIBCTCR-UHFFFAOYSA-N
XLogP1.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The IUPAC name of propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate (CID 135395745) is propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The canonical SMILES for propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate is CC(C)OC(=O)c1c[nH]c2cnc(Cl)nc2c1=O.
What is the InChIKey of propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate?
The InChIKey is HWKRKZCTIBCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-5(2)18-10(17)6-3-13-7-4-14-11(12)15-8(7)9(6)16/h3-5H,1-2H3,(H,13,16).
What are the key properties of propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate?
propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate has a molecular weight of 267.67 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-chloro-8-oxo-5H-pyrido[3,2-d]pyrimidine-7-carboxylate is sourced from PubChem (CID 135395745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).