7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine

C71H75Cl5N12O8 — CID 158659993

IUPAC7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine
SMILESCCC(CCOc1ccc(N)nc1)NC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(O)cccc2Cl)c(=O)n3CC)nc1.CCn1c(=O)c(-c2c(Cl)cccc2OC)cc2cnc(Cl)cc21.CCn1c(=O)c(-c2c(O)cccc2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C27H30ClN5O3.C17H14Cl2N2O2.C16H12Cl2N2O2.C11H19N3O/c1-4-32(5-2)12-13-36-19-10-11-24(30-17-19)31-25-15-22-18(16-29-25)14-20(27(35)33(22)6-3)26-21(28)8-7-9-23(26)34;1-3-21-13-8-15(19)20-9-10(13)7-11(17(21)22)16-12(18)5-4-6-14(16)23-2;1-2-20-12-7-14(18)19-8-9(12)6-10(16(20)22)15-11(17)4-3-5-13(15)21;1-3-9(13-2)6-7-15-10-4-5-11(12)14-8-10/h7-11,14-17,34H,4-6,12-13H2,1-3H3,(H,29,30,31);4-9H,3H2,1-2H3;3-8,21H,2H2,1H3;4-5,8-9,13H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyICQDPZSWHLWILM-UHFFFAOYSA-N
MW1401.72 g/mol
LogP15.23
Rot. Bonds21

About 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine

7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine (PubChem CID 158659993) has the molecular formula C71H75Cl5N12O8 and a molecular weight of 1401.72 g/mol. Its IUPAC name is 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine.

Molecular Properties

Compound Name7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine
PubChem CID158659993
Molecular FormulaC71H75Cl5N12O8
Molecular Weight1401.72 g/mol
Exact Mass1398.43
IUPAC Name7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine
SMILESCCC(CCOc1ccc(N)nc1)NC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(O)cccc2Cl)c(=O)n3CC)nc1.CCn1c(=O)c(-c2c(Cl)cccc2OC)cc2cnc(Cl)cc21.CCn1c(=O)c(-c2c(O)cccc2Cl)cc2cnc(Cl)cc21
InChIInChI=1S/C27H30ClN5O3.C17H14Cl2N2O2.C16H12Cl2N2O2.C11H19N3O/c1-4-32(5-2)12-13-36-19-10-11-24(30-17-19)31-25-15-22-18(16-29-25)14-20(27(35)33(22)6-3)26-21(28)8-7-9-23(26)34;1-3-21-13-8-15(19)20-9-10(13)7-11(17(21)22)16-12(18)5-4-6-14(16)23-2;1-2-20-12-7-14(18)19-8-9(12)6-10(16(20)22)15-11(17)4-3-5-13(15)21;1-3-9(13-2)6-7-15-10-4-5-11(12)14-8-10/h7-11,14-17,34H,4-6,12-13H2,1-3H3,(H,29,30,31);4-9H,3H2,1-2H3;3-8,21H,2H2,1H3;4-5,8-9,13H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyICQDPZSWHLWILM-UHFFFAOYSA-N
XLogP15.23
TPSA251.92 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.72
LogP ≤ 515.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine with MolForge

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Related Compounds

3-(2,6-Dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-(oxolan-3-yl)-1,6-naphthyridin-2-one
CID 118271406
3-(2,6-Dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400025
3-(2-Chlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400030
3-(2-Chloro-6-methoxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400032
3-(2-Chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400033
[4-[1-[[2-Amino-5-[2-[4-[3-chloro-5-fluoro-4-[hydroxy-[4-(2-hydroxypropyl)piperazin-1-yl]methyl]phenyl]-6-ethylpyrimidin-5-yl]ethynyl]-3-pyridinyl]oxy]propan-2-yl]piperazin-1-yl]-[4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2-chloro-6-fluorophenyl]methanone
CID 123733273
4-amino-6-chloropyridine-3-carbaldehyde;(4-amino-6-chloro-3-pyridinyl)methanol;7-chloro-3-phenyl-1H-1,6-naphthyridin-2-one;5-[2-(diethylamino)ethoxy]pyridin-2-amine;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1H-1,6-naphthyridin-2-one;(2,4-dimethoxyphenyl)methanamine;ethyl 4-amino-6-chloropyridine-3-carboxylate;ethyl 6-chloro-4-[(2,4-dimethoxyphenyl)methylamino]pyridine-3-carboxylate;ethyl 4,6-dichloropyridine-3-carboxylate;ethyl 2-phenylacetate;methane;2,2,2-trifluoroacetaldehyde
CID 160351090
N-[3-[4-[5-amino-7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-(4-methylpiperazin-1-yl)propyl]-2-hydroxybenzamide
CID 174226693
3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[(3S)-oxolan-3-yl]-1,6-naphthyridin-2-one
CID 118271405
3-(2,6-dichlorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[(3R)-oxolan-3-yl]-1,6-naphthyridin-2-one
CID 118383831
2-chloro-N-[(3S,4S)-1-[5-(7-ethoxy-1,6-naphthyridin-5-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]benzamide
CID 156869747
2-chloro-N-[(3S,4S)-3-hydroxy-1-[5-[7-[(1-methylpiperidin-4-yl)methoxy]-1,6-naphthyridin-5-yl]-2-pyridinyl]piperidin-4-yl]benzamide
CID 156869795

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine?
The IUPAC name of 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine (CID 158659993) is 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine.
What is the SMILES notation for 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine?
The canonical SMILES for 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine is CCC(CCOc1ccc(N)nc1)NC.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2c(O)cccc2Cl)c(=O)n3CC)nc1.CCn1c(=O)c(-c2c(Cl)cccc2OC)cc2cnc(Cl)cc21.CCn1c(=O)c(-c2c(O)cccc2Cl)cc2cnc(Cl)cc21.
What is the InChIKey of 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine?
The InChIKey is ICQDPZSWHLWILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O3.C17H14Cl2N2O2.C16H12Cl2N2O2.C11H19N3O/c1-4-32(5-2)12-13-36-19-10-11-24(30-17-19)31-25-15-22-18(16-29-25)14-20(27(35)33(22)6-3)26-21(28)8-7-9-23(26)34;1-3-21-13-8-15(19)20-9-10(13)7-11(17(21)22)16-12(18)5-4-6-14(16)23-2;1-2-20-12-7-14(18)19-8-9(12)6-10(16(20)22)15-11(17)4-3-5-13(15)21;1-3-9(13-2)6-7-15-10-4-5-11(12)14-8-10/h7-11,14-17,34H,4-6,12-13H2,1-3H3,(H,29,30,31);4-9H,3H2,1-2H3;3-8,21H,2H2,1H3;4-5,8-9,13H,3,6-7H2,1-2H3,(H2,12,14).
What are the key properties of 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine?
7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine has a molecular weight of 1401.72 g/mol, XLogP of 15.23, 21 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chloro-6-hydroxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;7-chloro-3-(2-chloro-6-methoxyphenyl)-1-ethyl-1,6-naphthyridin-2-one;3-(2-chloro-6-hydroxyphenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one;5-[3-(methylamino)pentoxy]pyridin-2-amine is sourced from PubChem (CID 158659993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).