methyl 7-methoxy-9-pentylcarbazole-3-carboxylate

C20H23NO3 — CID 66739573

IUPACmethyl 7-methoxy-9-pentylcarbazole-3-carboxylate
SMILESCCCCCn1c2ccc(C(=O)OC)cc2c2ccc(OC)cc21
InChIInChI=1S/C20H23NO3/c1-4-5-6-11-21-18-10-7-14(20(22)24-3)12-17(18)16-9-8-15(23-2)13-19(16)21/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyRIGWLNHCSCFKOQ-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.78
Rot. Bonds6

About methyl 7-methoxy-9-pentylcarbazole-3-carboxylate

methyl 7-methoxy-9-pentylcarbazole-3-carboxylate (PubChem CID 66739573) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 7-methoxy-9-pentylcarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-9-pentylcarbazole-3-carboxylate
PubChem CID66739573
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 7-methoxy-9-pentylcarbazole-3-carboxylate
SMILESCCCCCn1c2ccc(C(=O)OC)cc2c2ccc(OC)cc21
InChIInChI=1S/C20H23NO3/c1-4-5-6-11-21-18-10-7-14(20(22)24-3)12-17(18)16-9-8-15(23-2)13-19(16)21/h7-10,12-13H,4-6,11H2,1-3H3
InChIKeyRIGWLNHCSCFKOQ-UHFFFAOYSA-N
XLogP4.78
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
methyl 9-(cyclohexylmethyl)-7-methoxycarbazole-3-carboxylate
CID 56651695
bis(9-hexylcarbazol-2-yl) benzene-1,4-dicarboxylate
CID 175601220
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 23938891
9-butyl-3-methoxycarbazole
CID 132503458
2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
methyl 9-[3-(2-methoxyphenyl)propyl]carbazole-2-carboxylate
CID 70955551
methyl 4-(4-carbazol-9-ylbutoxy)benzoate
CID 68934986
4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
2,7-dimethoxy-9-(4-methylsulfanylbutyl)carbazole
CID 177244516
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
CID 70239958
4-(9-octylcarbazol-3-yl)oxycarbonylbenzoic acid
CID 175213708

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-9-pentylcarbazole-3-carboxylate?
The IUPAC name of methyl 7-methoxy-9-pentylcarbazole-3-carboxylate (CID 66739573) is methyl 7-methoxy-9-pentylcarbazole-3-carboxylate.
What is the SMILES notation for methyl 7-methoxy-9-pentylcarbazole-3-carboxylate?
The canonical SMILES for methyl 7-methoxy-9-pentylcarbazole-3-carboxylate is CCCCCn1c2ccc(C(=O)OC)cc2c2ccc(OC)cc21.
What is the InChIKey of methyl 7-methoxy-9-pentylcarbazole-3-carboxylate?
The InChIKey is RIGWLNHCSCFKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-5-6-11-21-18-10-7-14(20(22)24-3)12-17(18)16-9-8-15(23-2)13-19(16)21/h7-10,12-13H,4-6,11H2,1-3H3.
What are the key properties of methyl 7-methoxy-9-pentylcarbazole-3-carboxylate?
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-9-pentylcarbazole-3-carboxylate is sourced from PubChem (CID 66739573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).