6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride

C24H28ClN3O5 — CID 118865338

IUPAC6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CNC2(C)CCC2)cc2cc3c(cc21)OCCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C24H27N3O5.ClH/c1-24(6-4-7-24)25-12-14-9-13-10-16-18(11-17(13)27(14)2)32-8-3-5-15-20(16)26-22(29)19(21(15)28)23(30)31;/h9-11,25H,3-8,12H2,1-2H3,(H,30,31)(H2,26,28,29);1H
InChIKeyKJLKRCQYUSKXGI-UHFFFAOYSA-N
MW473.96 g/mol
LogP3.72
Rot. Bonds4

About 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride

6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride (PubChem CID 118865338) has the molecular formula C24H28ClN3O5 and a molecular weight of 473.96 g/mol. Its IUPAC name is 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride
PubChem CID118865338
Molecular FormulaC24H28ClN3O5
Molecular Weight473.96 g/mol
Exact Mass473.17
IUPAC Name6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CNC2(C)CCC2)cc2cc3c(cc21)OCCCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C24H27N3O5.ClH/c1-24(6-4-7-24)25-12-14-9-13-10-16-18(11-17(13)27(14)2)32-8-3-5-15-20(16)26-22(29)19(21(15)28)23(30)31;/h9-11,25H,3-8,12H2,1-2H3,(H,30,31)(H2,26,28,29);1H
InChIKeyKJLKRCQYUSKXGI-UHFFFAOYSA-N
XLogP3.72
TPSA116.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride?
The IUPAC name of 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride (CID 118865338) is 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride?
The canonical SMILES for 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride is Cl.Cn1c(CNC2(C)CCC2)cc2cc3c(cc21)OCCCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride?
The InChIKey is KJLKRCQYUSKXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5.ClH/c1-24(6-4-7-24)25-12-14-9-13-10-16-18(11-17(13)27(14)2)32-8-3-5-15-20(16)26-22(29)19(21(15)28)23(30)31;/h9-11,25H,3-8,12H2,1-2H3,(H,30,31)(H2,26,28,29);1H.
What are the key properties of 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride?
6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride has a molecular weight of 473.96 g/mol, XLogP of 3.72, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-15-methyl-16-[[(1-methylcyclobutyl)amino]methyl]-4-oxo-11-oxa-3,15-diazatetracyclo[10.7.0.02,7.014,18]nonadeca-1(12),2(7),5,13,16,18-hexaene-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 118865338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).