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

C16H22N4O2 — CID 126797491

IUPAC7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C1CCN(C3CC3)C1=O)C2
InChIInChI=1S/C16H22N4O2/c1-2-18-10-17-13-9-19(7-5-12(13)15(18)21)14-6-8-20(16(14)22)11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyMDMMJDCDLOTAQN-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.38
Rot. Bonds3

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

7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126797491) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID126797491
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(C1CCN(C3CC3)C1=O)C2
InChIInChI=1S/C16H22N4O2/c1-2-18-10-17-13-9-19(7-5-12(13)15(18)21)14-6-8-20(16(14)22)11-3-4-11/h10-11,14H,2-9H2,1H3
InChIKeyMDMMJDCDLOTAQN-UHFFFAOYSA-N
XLogP0.38
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 126797491) is 7-(1-cyclopropyl-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-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(C1CCN(C3CC3)C1=O)C2.
What is the InChIKey of 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MDMMJDCDLOTAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-18-10-17-13-9-19(7-5-12(13)15(18)21)14-6-8-20(16(14)22)11-3-4-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 302.38 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126797491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).