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BJQNAOSKSGHMDF-UHFFFAOYSA-N

C15H13N3O2 — CID 135666683

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-ethyl-2-(4-hydroxyphenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESCCn1ccc(=O)c2cnc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C15H13N3O2/c1-2-18-8-7-13(20)12-9-16-14(17-15(12)18)10-3-5-11(19)6-4-10/h3-9,19H,2H2,1H3
InChIKeyBJQNAOSKSGHMDF-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.18
Rot. Bonds2

About BJQNAOSKSGHMDF-UHFFFAOYSA-N

BJQNAOSKSGHMDF-UHFFFAOYSA-N (PubChem CID 135666683) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 8-ethyl-2-(4-hydroxyphenyl)pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound NameBJQNAOSKSGHMDF-UHFFFAOYSA-N
PubChem CID135666683
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name8-ethyl-2-(4-hydroxyphenyl)pyrido[2,3-d]pyrimidin-5-one
SMILESCCn1ccc(=O)c2cnc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C15H13N3O2/c1-2-18-8-7-13(20)12-9-16-14(17-15(12)18)10-3-5-11(19)6-4-10/h3-9,19H,2H2,1H3
InChIKeyBJQNAOSKSGHMDF-UHFFFAOYSA-N
XLogP2.18
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of BJQNAOSKSGHMDF-UHFFFAOYSA-N?
The IUPAC name of BJQNAOSKSGHMDF-UHFFFAOYSA-N (CID 135666683) is 8-ethyl-2-(4-hydroxyphenyl)pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for BJQNAOSKSGHMDF-UHFFFAOYSA-N?
The canonical SMILES for BJQNAOSKSGHMDF-UHFFFAOYSA-N is CCn1ccc(=O)c2cnc(-c3ccc(O)cc3)nc21.
What is the InChIKey of BJQNAOSKSGHMDF-UHFFFAOYSA-N?
The InChIKey is BJQNAOSKSGHMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-18-8-7-13(20)12-9-16-14(17-15(12)18)10-3-5-11(19)6-4-10/h3-9,19H,2H2,1H3.
What are the key properties of BJQNAOSKSGHMDF-UHFFFAOYSA-N?
BJQNAOSKSGHMDF-UHFFFAOYSA-N has a molecular weight of 267.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for BJQNAOSKSGHMDF-UHFFFAOYSA-N is sourced from PubChem (CID 135666683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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