6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C15H19ClN4O2 — CID 153382106

IUPAC6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1CCC(c2nc3cnc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H19ClN4O2/c1-22-7-6-20-4-2-10(3-5-20)14-18-12-9-17-13(16)8-11(12)15(21)19-14/h8-10H,2-7H2,1H3,(H,18,19,21)
InChIKeyAYFPPZSIVALBIN-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.80
Rot. Bonds4

About 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 153382106) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID153382106
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1CCC(c2nc3cnc(Cl)cc3c(=O)[nH]2)CC1
InChIInChI=1S/C15H19ClN4O2/c1-22-7-6-20-4-2-10(3-5-20)14-18-12-9-17-13(16)8-11(12)15(21)19-14/h8-10H,2-7H2,1H3,(H,18,19,21)
InChIKeyAYFPPZSIVALBIN-UHFFFAOYSA-N
XLogP1.80
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 153382106) is 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is COCCN1CCC(c2nc3cnc(Cl)cc3c(=O)[nH]2)CC1.
What is the InChIKey of 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is AYFPPZSIVALBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-22-7-6-20-4-2-10(3-5-20)14-18-12-9-17-13(16)8-11(12)15(21)19-14/h8-10H,2-7H2,1H3,(H,18,19,21).
What are the key properties of 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?
6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 322.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[1-(2-methoxyethyl)piperidin-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 153382106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).