7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one

C23H26ClN5O3 — CID 15982406

IUPAC7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(Cl)nc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C23H26ClN5O3/c24-21-3-1-16-2-4-22(30)29(23(16)27-21)10-9-28-7-5-17(6-8-28)25-14-18-13-19-20(15-26-18)32-12-11-31-19/h1-4,13,15,17,25H,5-12,14H2
InChIKeyPZGUTAOMYCGALO-UHFFFAOYSA-N
MW455.95 g/mol
LogP2.47
Rot. Bonds6

About 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one

7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one (PubChem CID 15982406) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
PubChem CID15982406
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(Cl)nc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1
InChIInChI=1S/C23H26ClN5O3/c24-21-3-1-16-2-4-22(30)29(23(16)27-21)10-9-28-7-5-17(6-8-28)25-14-18-13-19-20(15-26-18)32-12-11-31-19/h1-4,13,15,17,25H,5-12,14H2
InChIKeyPZGUTAOMYCGALO-UHFFFAOYSA-N
XLogP2.47
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The IUPAC name of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one (CID 15982406) is 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one is O=c1ccc2ccc(Cl)nc2n1CCN1CCC(NCc2cc3c(cn2)OCCO3)CC1.
What is the InChIKey of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The InChIKey is PZGUTAOMYCGALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-21-3-1-16-2-4-22(30)29(23(16)27-21)10-9-28-7-5-17(6-8-28)25-14-18-13-19-20(15-26-18)32-12-11-31-19/h1-4,13,15,17,25H,5-12,14H2.
What are the key properties of 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one has a molecular weight of 455.95 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 15982406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).