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

C18H27Cl2N3O2 — CID 67381475

IUPAC8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCCN(CC)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl
InChIInChI=1S/C18H25N3O2.2ClH/c1-4-21(5-2)11-12-9-14-16(15(10-12)23-3)17-13(18(22)20-14)7-6-8-19-17;;/h9-10,19H,4-8,11H2,1-3H3,(H,20,22);2*1H
InChIKeyRTXPPFIIGPVPBA-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.58
Rot. Bonds5

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

8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride (PubChem CID 67381475) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
PubChem CID67381475
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCCN(CC)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl
InChIInChI=1S/C18H25N3O2.2ClH/c1-4-21(5-2)11-12-9-14-16(15(10-12)23-3)17-13(18(22)20-14)7-6-8-19-17;;/h9-10,19H,4-8,11H2,1-3H3,(H,20,22);2*1H
InChIKeyRTXPPFIIGPVPBA-UHFFFAOYSA-N
XLogP3.58
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The IUPAC name of 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride (CID 67381475) is 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride.
What is the SMILES notation for 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The canonical SMILES for 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride is CCN(CC)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl.
What is the InChIKey of 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The InChIKey is RTXPPFIIGPVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2ClH/c1-4-21(5-2)11-12-9-14-16(15(10-12)23-3)17-13(18(22)20-14)7-6-8-19-17;;/h9-10,19H,4-8,11H2,1-3H3,(H,20,22);2*1H.
What are the key properties of 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride is sourced from PubChem (CID 67381475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).