7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one

C17H18ClN3O3 — CID 118222582

IUPAC7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2cc(OC)cc(OC)c2)Cc2cnc(Cl)cc21
InChIInChI=1S/C17H18ClN3O3/c1-4-20-15-8-16(18)19-9-11(15)10-21(17(20)22)12-5-13(23-2)7-14(6-12)24-3/h5-9H,4,10H2,1-3H3
InChIKeyZKNXIRBWDJWJJY-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.72
Rot. Bonds4

About 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one

7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 118222582) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID118222582
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCN1C(=O)N(c2cc(OC)cc(OC)c2)Cc2cnc(Cl)cc21
InChIInChI=1S/C17H18ClN3O3/c1-4-20-15-8-16(18)19-9-11(15)10-21(17(20)22)12-5-13(23-2)7-14(6-12)24-3/h5-9H,4,10H2,1-3H3
InChIKeyZKNXIRBWDJWJJY-UHFFFAOYSA-N
XLogP3.72
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one (CID 118222582) is 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one is CCN1C(=O)N(c2cc(OC)cc(OC)c2)Cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is ZKNXIRBWDJWJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-4-20-15-8-16(18)19-9-11(15)10-21(17(20)22)12-5-13(23-2)7-14(6-12)24-3/h5-9H,4,10H2,1-3H3.
What are the key properties of 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 347.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dimethoxyphenyl)-1-ethyl-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 118222582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).