N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine

C19H23ClN4O — CID 23337806

IUPACN-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1ccc2nc3ccc(Cl)cc3c(NCCCCN(C)C)c2n1
InChIInChI=1S/C19H23ClN4O/c1-24(2)11-5-4-10-21-18-14-12-13(20)6-7-15(14)22-16-8-9-17(25-3)23-19(16)18/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyZCVRTTAICIATDC-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.20
Rot. Bonds7

About N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine

N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine (PubChem CID 23337806) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine
PubChem CID23337806
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine
SMILESCOc1ccc2nc3ccc(Cl)cc3c(NCCCCN(C)C)c2n1
InChIInChI=1S/C19H23ClN4O/c1-24(2)11-5-4-10-21-18-14-12-13(20)6-7-15(14)22-16-8-9-17(25-3)23-19(16)18/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22)
InChIKeyZCVRTTAICIATDC-UHFFFAOYSA-N
XLogP4.20
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine
CID 70595117
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[11-[(6-chloro-2-methoxyacridin-9-yl)amino]undecyl]-N'-methylpentadecane-1,15-diamine
CID 154727097
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylbutane-1,4-diamine
CID 22709
N-(6-chloro-2-methoxyacridin-9-yl)-N',N'-diethylhexane-1,6-diamine
CID 15329153
N,N'-bis(6-chloro-2-methoxyacridin-9-yl)nonane-1,9-diamine
CID 158996243
(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)hydrazine
CID 156874871
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218
N-(6-chloro-2-methoxyacridin-9-yl)-N'-cyclopropyl-N'-ethylbutane-1,4-diamine
CID 71471685
N-[6-chloro-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 162644806

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine (CID 23337806) is N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine is COc1ccc2nc3ccc(Cl)cc3c(NCCCCN(C)C)c2n1.
What is the InChIKey of N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is ZCVRTTAICIATDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-24(2)11-5-4-10-21-18-14-12-13(20)6-7-15(14)22-16-8-9-17(25-3)23-19(16)18/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,22).
What are the key properties of N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine?
N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 358.87 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 23337806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).