4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

C13H14N4O2 — CID 117101906

IUPAC4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(O)c2)c2c([nH]1)CNCC2
InChIInChI=1S/C13H14N4O2/c18-9-3-1-2-8(6-9)15-12-10-4-5-14-7-11(10)16-13(19)17-12/h1-3,6,14,18H,4-5,7H2,(H2,15,16,17,19)
InChIKeyFXINNRZQLJXXRO-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.86
Rot. Bonds2

About 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one

4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (PubChem CID 117101906) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
PubChem CID117101906
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
SMILESO=c1nc(Nc2cccc(O)c2)c2c([nH]1)CNCC2
InChIInChI=1S/C13H14N4O2/c18-9-3-1-2-8(6-9)15-12-10-4-5-14-7-11(10)16-13(19)17-12/h1-3,6,14,18H,4-5,7H2,(H2,15,16,17,19)
InChIKeyFXINNRZQLJXXRO-UHFFFAOYSA-N
XLogP0.86
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The IUPAC name of 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one (CID 117101906) is 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one.
What is the SMILES notation for 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The canonical SMILES for 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is O=c1nc(Nc2cccc(O)c2)c2c([nH]1)CNCC2.
What is the InChIKey of 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
The InChIKey is FXINNRZQLJXXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-9-3-1-2-8(6-9)15-12-10-4-5-14-7-11(10)16-13(19)17-12/h1-3,6,14,18H,4-5,7H2,(H2,15,16,17,19).
What are the key properties of 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one?
4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one has a molecular weight of 258.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyanilino)-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one is sourced from PubChem (CID 117101906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).