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

C20H27N3O3 — CID 58424868

IUPAC8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H27N3O3/c1-2-8-26-17-12-14(13-23-6-9-25-10-7-23)11-16-18(17)19-15(20(24)22-16)4-3-5-21-19/h11-12,21H,2-10,13H2,1H3,(H,22,24)
InChIKeyKAVDDJPIZFZXAK-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.51
Rot. Bonds5

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

8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424868) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424868
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H27N3O3/c1-2-8-26-17-12-14(13-23-6-9-25-10-7-23)11-16-18(17)19-15(20(24)22-16)4-3-5-21-19/h11-12,21H,2-10,13H2,1H3,(H,22,24)
InChIKeyKAVDDJPIZFZXAK-UHFFFAOYSA-N
XLogP2.51
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424868) is 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is KAVDDJPIZFZXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-8-26-17-12-14(13-23-6-9-25-10-7-23)11-16-18(17)19-15(20(24)22-16)4-3-5-21-19/h11-12,21H,2-10,13H2,1H3,(H,22,24).
What are the key properties of 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 357.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).