7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride

C24H25ClN2O4 — CID 10252718

IUPAC7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(=O)CCCCCC(=O)O)cc12.Cl
InChIInChI=1S/C24H24N2O4.ClH/c1-14-19-13-25-11-10-17(19)15(2)24-23(14)18-12-16(8-9-20(18)26-24)30-22(29)7-5-3-4-6-21(27)28;/h8-13,26H,3-7H2,1-2H3,(H,27,28);1H
InChIKeyFMSRAYJQBKEFBI-UHFFFAOYSA-N
MW440.93 g/mol
LogP5.85
Rot. Bonds7

About 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride

7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride (PubChem CID 10252718) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride.

Molecular Properties

Compound Name7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride
PubChem CID10252718
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride
SMILESCc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(=O)CCCCCC(=O)O)cc12.Cl
InChIInChI=1S/C24H24N2O4.ClH/c1-14-19-13-25-11-10-17(19)15(2)24-23(14)18-12-16(8-9-20(18)26-24)30-22(29)7-5-3-4-6-21(27)28;/h8-13,26H,3-7H2,1-2H3,(H,27,28);1H
InChIKeyFMSRAYJQBKEFBI-UHFFFAOYSA-N
XLogP5.85
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride with MolForge

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Related Compounds

52-oxo-52-phenoxydopentacontanoic acid
CID 139682709
50-oxo-50-phenoxypentacontanoic acid
CID 139682644
44-oxo-44-phenoxytetratetracontanoic acid
CID 139683012
59-oxo-59-phenoxynonapentacontanoic acid
CID 139682621
2-amino-3-[(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-10-yl)sulfanyl]propanoic acid
CID 71333823
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole
CID 3047245
diphenyl nonanedioate
CID 18428919
9-[3-(3-hydroxyphenoxy)phenoxy]-9-oxononanoic acid
CID 66846062
N-(6,9-dimethyl-5H-pyrido[4,3-b]indol-7-yl)acetamide
CID 10467444
5-(3,5-dimethylphenoxy)-5-oxopentanoic acid
CID 94263257
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605

Frequently Asked Questions

What is the IUPAC name of 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride?
The IUPAC name of 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride (CID 10252718) is 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride.
What is the SMILES notation for 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride?
The canonical SMILES for 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride is Cc1c2ccncc2c(C)c2c1[nH]c1ccc(OC(=O)CCCCCC(=O)O)cc12.Cl.
What is the InChIKey of 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride?
The InChIKey is FMSRAYJQBKEFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4.ClH/c1-14-19-13-25-11-10-17(19)15(2)24-23(14)18-12-16(8-9-20(18)26-24)30-22(29)7-5-3-4-6-21(27)28;/h8-13,26H,3-7H2,1-2H3,(H,27,28);1H.
What are the key properties of 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride?
7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride has a molecular weight of 440.93 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl)oxy]-7-oxoheptanoic acid;hydrochloride is sourced from PubChem (CID 10252718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).