1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide

C54H65Cl3N10O8 — CID 158437865

IUPAC1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)CN.CC(C)(O)CNc1ccnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1
InChIInChI=1S/C27H32ClN5O4.C23H22Cl2N4O3.C4H11NO/c1-26(2)15-32(16-26)22(34)13-33-23-19(21(9-10-29-23)31-14-27(3,4)37)11-20(25(33)36)24(35)30-12-17-5-7-18(28)8-6-17;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;1-4(2,6)3-5/h5-11,37H,12-16H2,1-4H3,(H,29,31)(H,30,35);3-9H,10-13H2,1-2H3,(H,27,31);6H,3,5H2,1-2H3
InChIKeyHCLMAVLAGUHKPJ-UHFFFAOYSA-N
MW1088.53 g/mol
LogP6.25
Rot. Bonds14

About 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide

1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 158437865) has the molecular formula C54H65Cl3N10O8 and a molecular weight of 1088.53 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID158437865
Molecular FormulaC54H65Cl3N10O8
Molecular Weight1088.53 g/mol
Exact Mass1086.41
IUPAC Name1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)CN.CC(C)(O)CNc1ccnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1
InChIInChI=1S/C27H32ClN5O4.C23H22Cl2N4O3.C4H11NO/c1-26(2)15-32(16-26)22(34)13-33-23-19(21(9-10-29-23)31-14-27(3,4)37)11-20(25(33)36)24(35)30-12-17-5-7-18(28)8-6-17;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;1-4(2,6)3-5/h5-11,37H,12-16H2,1-4H3,(H,29,31)(H,30,35);3-9H,10-13H2,1-2H3,(H,27,31);6H,3,5H2,1-2H3
InChIKeyHCLMAVLAGUHKPJ-UHFFFAOYSA-N
XLogP6.25
TPSA247.11 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001088.53
LogP ≤ 56.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 158437865) is 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)CN.CC(C)(O)CNc1ccnc2c1cc(C(=O)NCc1ccc(Cl)cc1)c(=O)n2CC(=O)N1CC(C)(C)C1.CC1(C)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(Cl)ccnc32)C1.
What is the InChIKey of 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is HCLMAVLAGUHKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O4.C23H22Cl2N4O3.C4H11NO/c1-26(2)15-32(16-26)22(34)13-33-23-19(21(9-10-29-23)31-14-27(3,4)37)11-20(25(33)36)24(35)30-12-17-5-7-18(28)8-6-17;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;1-4(2,6)3-5/h5-11,37H,12-16H2,1-4H3,(H,29,31)(H,30,35);3-9H,10-13H2,1-2H3,(H,27,31);6H,3,5H2,1-2H3.
What are the key properties of 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide?
1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 1088.53 g/mol, XLogP of 6.25, 14 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;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-hydroxy-2-methylpropyl)amino]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 158437865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).