7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C19H20ClFN4O2 — CID 126812722

IUPAC7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C1CCN(c3ccc(F)c(Cl)c3)C1=O)C2
InChIInChI=1S/C19H20ClFN4O2/c1-2-23-11-22-16-10-24(7-5-13(16)18(23)26)17-6-8-25(19(17)27)12-3-4-15(21)14(20)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyUXWAOCUVKAOMSX-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.22
Rot. Bonds3

About 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126812722) has the molecular formula C19H20ClFN4O2 and a molecular weight of 390.85 g/mol. Its IUPAC name is 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID126812722
Molecular FormulaC19H20ClFN4O2
Molecular Weight390.85 g/mol
Exact Mass390.13
IUPAC Name7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C1CCN(c3ccc(F)c(Cl)c3)C1=O)C2
InChIInChI=1S/C19H20ClFN4O2/c1-2-23-11-22-16-10-24(7-5-13(16)18(23)26)17-6-8-25(19(17)27)12-3-4-15(21)14(20)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3
InChIKeyUXWAOCUVKAOMSX-UHFFFAOYSA-N
XLogP2.22
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 126812722) is 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(C1CCN(c3ccc(F)c(Cl)c3)C1=O)C2.
What is the InChIKey of 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is UXWAOCUVKAOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O2/c1-2-23-11-22-16-10-24(7-5-13(16)18(23)26)17-6-8-25(19(17)27)12-3-4-15(21)14(20)9-12/h3-4,9,11,17H,2,5-8,10H2,1H3.
What are the key properties of 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 390.85 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(3-chloro-4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126812722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).