5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine

C58H69Cl3N10O8 — CID 160918202

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.CC1CN(c2ccnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)CC(C)O1.CC1CNCC(C)O1
InChIInChI=1S/C29H34ClN5O4.C23H22Cl2N4O3.C6H13NO/c1-18-13-33(14-19(2)39-18)24-9-10-31-26-22(24)11-23(27(37)32-12-20-5-7-21(30)8-6-20)28(38)35(26)15-25(36)34-16-29(3,4)17-34;1-23(2)12-28(13-23)19(30)11-29-20-16(18(25)7-8-26-20)9-17(22(29)32)21(31)27-10-14-3-5-15(24)6-4-14;1-5-3-7-4-6(2)8-5/h5-11,18-19H,12-17H2,1-4H3,(H,32,37);3-9H,10-13H2,1-2H3,(H,27,31);5-7H,3-4H2,1-2H3
InChIKeySRRKTRWKWNHJFT-UHFFFAOYSA-N
MW1140.61 g/mol
LogP7.35
Rot. Bonds11

About 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine

5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine (PubChem CID 160918202) has the molecular formula C58H69Cl3N10O8 and a molecular weight of 1140.61 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine
PubChem CID160918202
Molecular FormulaC58H69Cl3N10O8
Molecular Weight1140.61 g/mol
Exact Mass1138.44
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine
SMILESCC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.CC1CN(c2ccnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)CC(C)O1.CC1CNCC(C)O1
InChIInChI=1S/C29H34ClN5O4.C23H22Cl2N4O3.C6H13NO/c1-18-13-33(14-19(2)39-18)24-9-10-31-26-22(24)11-23(27(37)32-12-20-5-7-21(30)8-6-20)28(38)35(26)15-25(36)34-16-29(3,4)17-34;1-23(2)12-28(13-23)19(30)11-29-20-16(18(25)7-8-26-20)9-17(22(29)32)21(31)27-10-14-3-5-15(24)6-4-14;1-5-3-7-4-6(2)8-5/h5-11,18-19H,12-17H2,1-4H3,(H,32,37);3-9H,10-13H2,1-2H3,(H,27,31);5-7H,3-4H2,1-2H3
InChIKeySRRKTRWKWNHJFT-UHFFFAOYSA-N
XLogP7.35
TPSA202.33 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001140.61
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine (CID 160918202) is 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine is CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.CC1CN(c2ccnc3c2cc(C(=O)NCc2ccc(Cl)cc2)c(=O)n3CC(=O)N2CC(C)(C)C2)CC(C)O1.CC1CNCC(C)O1.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine?
The InChIKey is SRRKTRWKWNHJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O4.C23H22Cl2N4O3.C6H13NO/c1-18-13-33(14-19(2)39-18)24-9-10-31-26-22(24)11-23(27(37)32-12-20-5-7-21(30)8-6-20)28(38)35(26)15-25(36)34-16-29(3,4)17-34;1-23(2)12-28(13-23)19(30)11-29-20-16(18(25)7-8-26-20)9-17(22(29)32)21(31)27-10-14-3-5-15(24)6-4-14;1-5-3-7-4-6(2)8-5/h5-11,18-19H,12-17H2,1-4H3,(H,32,37);3-9H,10-13H2,1-2H3,(H,27,31);5-7H,3-4H2,1-2H3.
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine?
5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine has a molecular weight of 1140.61 g/mol, XLogP of 7.35, 11 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-5-(2,6-dimethylmorpholin-4-yl)-2-oxo-1,8-naphthyridine-3-carboxamide;2,6-dimethylmorpholine is sourced from PubChem (CID 160918202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).