11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate

C24H18N2O3 — CID 67915904

IUPAC11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate
SMILESCOc1c(N)cccc1C(=O)Oc1ccc2ccc3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C24H18N2O3/c1-28-23-18(6-4-7-20(23)25)24(27)29-15-11-9-14-10-12-17-16-5-2-3-8-21(16)26-22(17)19(14)13-15/h2-13,26H,25H2,1H3
InChIKeyFDDONGQKPNKRMV-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.28
Rot. Bonds3

About 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate

11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate (PubChem CID 67915904) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate.

Molecular Properties

Compound Name11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate
PubChem CID67915904
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC Name11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate
SMILESCOc1c(N)cccc1C(=O)Oc1ccc2ccc3c4ccccc4[nH]c3c2c1
InChIInChI=1S/C24H18N2O3/c1-28-23-18(6-4-7-20(23)25)24(27)29-15-11-9-14-10-12-17-16-5-2-3-8-21(16)26-22(17)19(14)13-15/h2-13,26H,25H2,1H3
InChIKeyFDDONGQKPNKRMV-UHFFFAOYSA-N
XLogP5.28
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11H-benzo[a]carbazol-2-yl 5-amino-2-bromobenzoate
CID 67906965
phenyl 2-hydroxy-11H-benzo[a]carbazole-3-carboxylate
CID 19933809
7-methoxy-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 24774105
2-(2-hydroxy-11H-benzo[a]carbazol-3-yl)-N-(4-methoxyphenyl)acetamide
CID 139771930
3-amino-11H-benzo[a]carbazol-2-ol
CID 135394460
benzyl 3-amino-2-methoxybenzoate;hydrochloride
CID 67245943
9H-carbazole-1-carboxylic acid;methyl 9H-carbazole-1-carboxylate
CID 175444407
(4-methoxyphenyl) 1H-indole-4-carboxylate
CID 150869217
ethane;2-hydroxy-11H-benzo[a]carbazole-3-carboxylic acid
CID 91394685
9H-carbazol-3-yl benzoate
CID 142723701
3-amino-2-methoxybenzoic acid
CID 19849158
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437

Frequently Asked Questions

What is the IUPAC name of 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate?
The IUPAC name of 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate (CID 67915904) is 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate.
What is the SMILES notation for 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate?
The canonical SMILES for 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate is COc1c(N)cccc1C(=O)Oc1ccc2ccc3c4ccccc4[nH]c3c2c1.
What is the InChIKey of 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate?
The InChIKey is FDDONGQKPNKRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c1-28-23-18(6-4-7-20(23)25)24(27)29-15-11-9-14-10-12-17-16-5-2-3-8-21(16)26-22(17)19(14)13-15/h2-13,26H,25H2,1H3.
What are the key properties of 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate?
11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate has a molecular weight of 382.42 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[a]carbazol-2-yl 3-amino-2-methoxybenzoate is sourced from PubChem (CID 67915904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).