N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride

C19H24Cl2N4O — CID 44531886

IUPACN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12.Cl
InChIInChI=1S/C19H23ClN4O.ClH/c1-4-24(5-2)11-10-21-18-14-7-6-13(20)12-16(14)22-15-8-9-17(25-3)23-19(15)18;/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22);1H
InChIKeyBCURDSHTGJMESA-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.62
Rot. Bonds7

About N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride

N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride (PubChem CID 44531886) has the molecular formula C19H24Cl2N4O and a molecular weight of 395.33 g/mol. Its IUPAC name is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
PubChem CID44531886
Molecular FormulaC19H24Cl2N4O
Molecular Weight395.33 g/mol
Exact Mass394.13
IUPAC NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
SMILESCCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12.Cl
InChIInChI=1S/C19H23ClN4O.ClH/c1-4-24(5-2)11-10-21-18-14-7-6-13(20)12-16(14)22-15-8-9-17(25-3)23-19(15)18;/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22);1H
InChIKeyBCURDSHTGJMESA-UHFFFAOYSA-N
XLogP4.62
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride (CID 44531886) is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride is CCN(CC)CCNc1c2ccc(Cl)cc2nc2ccc(OC)nc12.Cl.
What is the InChIKey of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
The InChIKey is BCURDSHTGJMESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O.ClH/c1-4-24(5-2)11-10-21-18-14-7-6-13(20)12-16(14)22-15-8-9-17(25-3)23-19(15)18;/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride?
N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride has a molecular weight of 395.33 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 44531886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).