7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

C18H23ClN4 — CID 15631968

IUPAC7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCN1CCN(c2c3c(nc4cc(Cl)ccc24)CCN(C)C3)CC1
InChIInChI=1S/C18H23ClN4/c1-21-7-9-23(10-8-21)18-14-4-3-13(19)11-17(14)20-16-5-6-22(2)12-15(16)18/h3-4,11H,5-10,12H2,1-2H3
InChIKeyTXJKCTCFWXWKSI-UHFFFAOYSA-N
MW330.86 g/mol
LogP2.63
Rot. Bonds1

About 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine

7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (PubChem CID 15631968) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
PubChem CID15631968
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine
SMILESCN1CCN(c2c3c(nc4cc(Cl)ccc24)CCN(C)C3)CC1
InChIInChI=1S/C18H23ClN4/c1-21-7-9-23(10-8-21)18-14-4-3-13(19)11-17(14)20-16-5-6-22(2)12-15(16)18/h3-4,11H,5-10,12H2,1-2H3
InChIKeyTXJKCTCFWXWKSI-UHFFFAOYSA-N
XLogP2.63
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The IUPAC name of 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine (CID 15631968) is 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine.
What is the SMILES notation for 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The canonical SMILES for 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is CN1CCN(c2c3c(nc4cc(Cl)ccc24)CCN(C)C3)CC1.
What is the InChIKey of 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
The InChIKey is TXJKCTCFWXWKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c1-21-7-9-23(10-8-21)18-14-4-3-13(19)11-17(14)20-16-5-6-22(2)12-15(16)18/h3-4,11H,5-10,12H2,1-2H3.
What are the key properties of 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine?
7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine has a molecular weight of 330.86 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-methyl-10-(4-methylpiperazin-1-yl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine is sourced from PubChem (CID 15631968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).