1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide

C54H62Cl2N10O11 — CID 157411751

IUPAC1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide
SMILESCC(O)CN.CC(O)CNC(=O)c1cnc2c(c1)cc(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)cc3cc(C(=O)O)cnc32)C1
InChIInChI=1S/C27H30ClN5O5.C24H23ClN4O5.C3H9NO/c1-16(34)10-30-24(36)19-8-18-9-21(25(37)31-11-17-4-6-20(28)7-5-17)26(38)33(23(18)29-12-19)13-22(35)32-14-27(2,3)15-32;1-24(2)12-28(13-24)19(30)11-29-20-15(7-16(10-26-20)23(33)34)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-3(5)2-4/h4-9,12,16,34H,10-11,13-15H2,1-3H3,(H,30,36)(H,31,37);3-8,10H,9,11-13H2,1-2H3,(H,27,31)(H,33,34);3,5H,2,4H2,1H3
InChIKeyBOJFQIDHIAVJOG-UHFFFAOYSA-N
MW1098.05 g/mol
LogP3.83
Rot. Bonds15

About 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide

1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide (PubChem CID 157411751) has the molecular formula C54H62Cl2N10O11 and a molecular weight of 1098.05 g/mol. Its IUPAC name is 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide.

Molecular Properties

Compound Name1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide
PubChem CID157411751
Molecular FormulaC54H62Cl2N10O11
Molecular Weight1098.05 g/mol
Exact Mass1096.40
IUPAC Name1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide
SMILESCC(O)CN.CC(O)CNC(=O)c1cnc2c(c1)cc(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)cc3cc(C(=O)O)cnc32)C1
InChIInChI=1S/C27H30ClN5O5.C24H23ClN4O5.C3H9NO/c1-16(34)10-30-24(36)19-8-18-9-21(25(37)31-11-17-4-6-20(28)7-5-17)26(38)33(23(18)29-12-19)13-22(35)32-14-27(2,3)15-32;1-24(2)12-28(13-24)19(30)11-29-20-15(7-16(10-26-20)23(33)34)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-3(5)2-4/h4-9,12,16,34H,10-11,13-15H2,1-3H3,(H,30,36)(H,31,37);3-8,10H,9,11-13H2,1-2H3,(H,27,31)(H,33,34);3,5H,2,4H2,1H3
InChIKeyBOJFQIDHIAVJOG-UHFFFAOYSA-N
XLogP3.83
TPSA301.48 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001098.05
LogP ≤ 53.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide?
The IUPAC name of 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide (CID 157411751) is 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide.
What is the SMILES notation for 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide?
The canonical SMILES for 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide is CC(O)CN.CC(O)CNC(=O)c1cnc2c(c1)cc(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)cc3cc(C(=O)O)cnc32)C1.
What is the InChIKey of 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide?
The InChIKey is BOJFQIDHIAVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O5.C24H23ClN4O5.C3H9NO/c1-16(34)10-30-24(36)19-8-18-9-21(25(37)31-11-17-4-6-20(28)7-5-17)26(38)33(23(18)29-12-19)13-22(35)32-14-27(2,3)15-32;1-24(2)12-28(13-24)19(30)11-29-20-15(7-16(10-26-20)23(33)34)8-18(22(29)32)21(31)27-9-14-3-5-17(25)6-4-14;1-3(5)2-4/h4-9,12,16,34H,10-11,13-15H2,1-3H3,(H,30,36)(H,31,37);3-8,10H,9,11-13H2,1-2H3,(H,27,31)(H,33,34);3,5H,2,4H2,1H3.
What are the key properties of 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide?
1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide has a molecular weight of 1098.05 g/mol, XLogP of 3.83, 15 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-ol;6-[(4-chlorophenyl)methylcarbamoyl]-8-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-7-oxo-1,8-naphthyridine-3-carboxylic acid;3-N-[(4-chlorophenyl)methyl]-1-[2-(3,3-dimethylazetidin-1-yl)-2-oxoethyl]-6-N-(2-hydroxypropyl)-2-oxo-1,8-naphthyridine-3,6-dicarboxamide is sourced from PubChem (CID 157411751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).