10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C18H23N3O3 — CID 58424944

IUPAC10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H23N3O3/c1-23-15-10-12(11-21-5-7-24-8-6-21)9-14-16(15)17-13(18(22)20-14)3-2-4-19-17/h9-10,19H,2-8,11H2,1H3,(H,20,22)
InChIKeyHFUOSTOTVRUBOB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.73
Rot. Bonds3

About 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424944) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424944
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H23N3O3/c1-23-15-10-12(11-21-5-7-24-8-6-21)9-14-16(15)17-13(18(22)20-14)3-2-4-19-17/h9-10,19H,2-8,11H2,1H3,(H,20,22)
InChIKeyHFUOSTOTVRUBOB-UHFFFAOYSA-N
XLogP1.73
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424944) is 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is HFUOSTOTVRUBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-15-10-12(11-21-5-7-24-8-6-21)9-14-16(15)17-13(18(22)20-14)3-2-4-19-17/h9-10,19H,2-8,11H2,1H3,(H,20,22).
What are the key properties of 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 329.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).