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

C19H23ClN4O — CID 70595117

IUPAC1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine
SMILESCCCC(Nc1c2cc(Cl)ccc2nc2ccc(OC)nc12)N(C)C
InChIInChI=1S/C19H23ClN4O/c1-5-6-16(24(2)3)22-18-13-11-12(20)7-8-14(13)21-15-9-10-17(25-4)23-19(15)18/h7-11,16H,5-6H2,1-4H3,(H,21,22)
InChIKeyAOBNQDCGASTSSX-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.54
Rot. Bonds6

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

1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine (PubChem CID 70595117) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine
PubChem CID70595117
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine
SMILESCCCC(Nc1c2cc(Cl)ccc2nc2ccc(OC)nc12)N(C)C
InChIInChI=1S/C19H23ClN4O/c1-5-6-16(24(2)3)22-18-13-11-12(20)7-8-14(13)21-15-9-10-17(25-4)23-19(15)18/h7-11,16H,5-6H2,1-4H3,(H,21,22)
InChIKeyAOBNQDCGASTSSX-UHFFFAOYSA-N
XLogP4.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N',N'-dimethylbutane-1,4-diamine
CID 23337806
(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)hydrazine
CID 156874871
N-(6-chloro-2-methoxyacridin-9-yl)-N'-methoxy-N'-methylethane-1,2-diamine
CID 170597932
methyl 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]hexanoate
CID 133444283
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
5-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-dipropylhexane-1,5-diamine;hydrochloride
CID 44531335
2-N-(6-chloro-2-methoxyacridin-9-yl)-2-N',2-N'-diethylpentane-2,2-diamine
CID 141235357
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
N-butyl-6-chloro-2-methoxyacridin-9-amine;ethane
CID 166169543
6-chloro-N-(6-ethyloctan-2-yl)-2-methoxyacridin-9-amine
CID 20753270
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
6-chloro-2-methoxy-N-octylacridin-9-amine
CID 44537218

Frequently Asked Questions

What is the IUPAC name of 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine?
The IUPAC name of 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine (CID 70595117) is 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine.
What is the SMILES notation for 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine?
The canonical SMILES for 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine is CCCC(Nc1c2cc(Cl)ccc2nc2ccc(OC)nc12)N(C)C.
What is the InChIKey of 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine?
The InChIKey is AOBNQDCGASTSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-5-6-16(24(2)3)22-18-13-11-12(20)7-8-14(13)21-15-9-10-17(25-4)23-19(15)18/h7-11,16H,5-6H2,1-4H3,(H,21,22).
What are the key properties of 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine?
1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine has a molecular weight of 358.87 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(8-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-1-N',1-N'-dimethylbutane-1,1-diamine is sourced from PubChem (CID 70595117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).