1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine

C17H22ClN3 — CID 82451762

IUPAC1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
SMILESCCN1CCc2nc3c(C)c(Cl)ccc3c(CNC)c2C1
InChIInChI=1S/C17H22ClN3/c1-4-21-8-7-16-14(10-21)13(9-19-3)12-5-6-15(18)11(2)17(12)20-16/h5-6,19H,4,7-10H2,1-3H3
InChIKeyABZYMPUDGHGYOZ-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.29
Rot. Bonds3

About 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine

1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine (PubChem CID 82451762) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
PubChem CID82451762
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine
SMILESCCN1CCc2nc3c(C)c(Cl)ccc3c(CNC)c2C1
InChIInChI=1S/C17H22ClN3/c1-4-21-8-7-16-14(10-21)13(9-19-3)12-5-6-15(18)11(2)17(12)20-16/h5-6,19H,4,7-10H2,1-3H3
InChIKeyABZYMPUDGHGYOZ-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The IUPAC name of 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine (CID 82451762) is 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The canonical SMILES for 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine is CCN1CCc2nc3c(C)c(Cl)ccc3c(CNC)c2C1.
What is the InChIKey of 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
The InChIKey is ABZYMPUDGHGYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-4-21-8-7-16-14(10-21)13(9-19-3)12-5-6-15(18)11(2)17(12)20-16/h5-6,19H,4,7-10H2,1-3H3.
What are the key properties of 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine?
1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine has a molecular weight of 303.84 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2-ethyl-6-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)-N-methylmethanamine is sourced from PubChem (CID 82451762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).