(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride

C12H19ClN3O4P — CID 164562957

IUPAC(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
SMILESCl.O=P(O)(O)c1ccc2c(n1)C(N1CCOCC1)CNC2
InChIInChI=1S/C12H18N3O4P.ClH/c16-20(17,18)11-2-1-9-7-13-8-10(12(9)14-11)15-3-5-19-6-4-15;/h1-2,10,13H,3-8H2,(H2,16,17,18);1H
InChIKeyPEPTUOLXSXGRMQ-UHFFFAOYSA-N
MW335.73 g/mol
LogP-0.22
Rot. Bonds2

About (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride

(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride (PubChem CID 164562957) has the molecular formula C12H19ClN3O4P and a molecular weight of 335.73 g/mol. Its IUPAC name is (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride.

Molecular Properties

Compound Name(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
PubChem CID164562957
Molecular FormulaC12H19ClN3O4P
Molecular Weight335.73 g/mol
Exact Mass335.08
IUPAC Name(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride
SMILESCl.O=P(O)(O)c1ccc2c(n1)C(N1CCOCC1)CNC2
InChIInChI=1S/C12H18N3O4P.ClH/c16-20(17,18)11-2-1-9-7-13-8-10(12(9)14-11)15-3-5-19-6-4-15;/h1-2,10,13H,3-8H2,(H2,16,17,18);1H
InChIKeyPEPTUOLXSXGRMQ-UHFFFAOYSA-N
XLogP-0.22
TPSA94.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.73
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The IUPAC name of (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride (CID 164562957) is (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride.
What is the SMILES notation for (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The canonical SMILES for (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride is Cl.O=P(O)(O)c1ccc2c(n1)C(N1CCOCC1)CNC2.
What is the InChIKey of (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
The InChIKey is PEPTUOLXSXGRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N3O4P.ClH/c16-20(17,18)11-2-1-9-7-13-8-10(12(9)14-11)15-3-5-19-6-4-15;/h1-2,10,13H,3-8H2,(H2,16,17,18);1H.
What are the key properties of (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride?
(8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride has a molecular weight of 335.73 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)phosphonic acid;hydrochloride is sourced from PubChem (CID 164562957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).