1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone

C16H17N3O3 — CID 90620979

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-21-13-2-4-14(5-3-13)22-10-16(20)19-7-6-15-12(9-19)8-17-11-18-15/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyONIQCNDFNNQFPV-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.45
Rot. Bonds4

About 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 90620979) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID90620979
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)N2CCc3ncncc3C2)cc1
InChIInChI=1S/C16H17N3O3/c1-21-13-2-4-14(5-3-13)22-10-16(20)19-7-6-15-12(9-19)8-17-11-18-15/h2-5,8,11H,6-7,9-10H2,1H3
InChIKeyONIQCNDFNNQFPV-UHFFFAOYSA-N
XLogP1.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone (CID 90620979) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)N2CCc3ncncc3C2)cc1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is ONIQCNDFNNQFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-13-2-4-14(5-3-13)22-10-16(20)19-7-6-15-12(9-19)8-17-11-18-15/h2-5,8,11H,6-7,9-10H2,1H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 299.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 90620979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).