3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one

C18H17N5O2 — CID 72719485

IUPAC3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCc2ncncc2C1
InChIInChI=1S/C18H17N5O2/c24-17(22-7-5-15-13(10-22)9-19-11-20-15)6-8-23-12-21-16-4-2-1-3-14(16)18(23)25/h1-4,9,11-12H,5-8,10H2
InChIKeyWCFFXHHDVKCKOI-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.16
Rot. Bonds3

About 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one

3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one (PubChem CID 72719485) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one
PubChem CID72719485
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one
SMILESO=C(CCn1cnc2ccccc2c1=O)N1CCc2ncncc2C1
InChIInChI=1S/C18H17N5O2/c24-17(22-7-5-15-13(10-22)9-19-11-20-15)6-8-23-12-21-16-4-2-1-3-14(16)18(23)25/h1-4,9,11-12H,5-8,10H2
InChIKeyWCFFXHHDVKCKOI-UHFFFAOYSA-N
XLogP1.16
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one (CID 72719485) is 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one is O=C(CCn1cnc2ccccc2c1=O)N1CCc2ncncc2C1.
What is the InChIKey of 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one?
The InChIKey is WCFFXHHDVKCKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-17(22-7-5-15-13(10-22)9-19-11-20-15)6-8-23-12-21-16-4-2-1-3-14(16)18(23)25/h1-4,9,11-12H,5-8,10H2.
What are the key properties of 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one?
3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one has a molecular weight of 335.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 72719485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).