7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one

C26H36N4O3 — CID 70286937

IUPAC7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNCc1cc2[nH]c(=O)c(-c3cc(OC)cc(OC)c3C)cc2cn1
InChIInChI=1S/C26H36N4O3/c1-6-30(7-2)11-9-8-10-27-17-20-13-24-19(16-28-20)12-23(26(31)29-24)22-14-21(32-4)15-25(33-5)18(22)3/h12-16,27H,6-11,17H2,1-5H3,(H,29,31)
InChIKeyIMDUCOQORRVCRU-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.13
Rot. Bonds12

About 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one

7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one (PubChem CID 70286937) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one
PubChem CID70286937
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one
SMILESCCN(CC)CCCCNCc1cc2[nH]c(=O)c(-c3cc(OC)cc(OC)c3C)cc2cn1
InChIInChI=1S/C26H36N4O3/c1-6-30(7-2)11-9-8-10-27-17-20-13-24-19(16-28-20)12-23(26(31)29-24)22-14-21(32-4)15-25(33-5)18(22)3/h12-16,27H,6-11,17H2,1-5H3,(H,29,31)
InChIKeyIMDUCOQORRVCRU-UHFFFAOYSA-N
XLogP4.13
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

anisole;2-[[4-(diethylamino)butylamino]methyl]pyridine-4-carboxylic acid
CID 161275558
7-[4-(diethylamino)butylamino]-3-(3,5-dimethoxy-2,6-dimethylphenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 22124658
4-[[4-(diethylamino)butylamino]methyl]-2-methoxyphenol
CID 82364248
N',N'-diethyl-N-(pyrazin-2-ylmethyl)butane-1,4-diamine
CID 83960493
N',N'-diethyl-N-[(6-methoxy-2-pyridinyl)methyl]propane-1,3-diamine
CID 63993512
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
N',N'-diethyl-N-[(3-methoxy-5-nitrophenyl)methyl]propane-1,3-diamine
CID 81145400
N',N'-diethyl-N-(4-ethyl-6-methoxyquinolin-8-yl)hexane-1,6-diamine
CID 12529748
2-[[3-(diethylamino)propylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39147308
N',N'-diethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43235528
N-[(2,4,6-trimethoxyphenyl)methyl]pentan-1-amine
CID 43090921
N-[5-(diethylamino)pentyl]-N',N'-diethylpentane-1,5-diamine
CID 23131522

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one (CID 70286937) is 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one is CCN(CC)CCCCNCc1cc2[nH]c(=O)c(-c3cc(OC)cc(OC)c3C)cc2cn1.
What is the InChIKey of 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one?
The InChIKey is IMDUCOQORRVCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-6-30(7-2)11-9-8-10-27-17-20-13-24-19(16-28-20)12-23(26(31)29-24)22-14-21(32-4)15-25(33-5)18(22)3/h12-16,27H,6-11,17H2,1-5H3,(H,29,31).
What are the key properties of 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one?
7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one has a molecular weight of 452.60 g/mol, XLogP of 4.13, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(diethylamino)butylamino]methyl]-3-(3,5-dimethoxy-2-methylphenyl)-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 70286937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).