bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride

C62H73Br4Cl2N11O9 — CID 158313445

IUPACbis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)O)Cc2c1[nH]c1ccc(Br)cc21.CC(C)(C)OC(=O)NC1CC(C(N)=O)Cc2c1[nH]c1ccc(Br)cc21.Cl.Cl.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1
InChIInChI=1S/C18H22BrN3O3.C18H21BrN2O4.2C13H14BrN3O.2ClH/c1-18(2,3)25-17(24)22-14-7-9(16(20)23)6-12-11-8-10(19)4-5-13(11)21-15(12)14;1-18(2,3)25-17(24)21-14-7-9(16(22)23)6-12-11-8-10(19)4-5-13(11)20-15(12)14;2*14-7-1-2-11-8(5-7)9-3-6(13(16)18)4-10(15)12(9)17-11;;/h4-5,8-9,14,21H,6-7H2,1-3H3,(H2,20,23)(H,22,24);4-5,8-9,14,20H,6-7H2,1-3H3,(H,21,24)(H,22,23);2*1-2,5-6,10,17H,3-4,15H2,(H2,16,18);2*1H
InChIKeySLOOZMUYWUDTLK-UHFFFAOYSA-N
MW1506.86 g/mol
LogP12.49
Rot. Bonds6

About bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride

bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride (PubChem CID 158313445) has the molecular formula C62H73Br4Cl2N11O9 and a molecular weight of 1506.86 g/mol. Its IUPAC name is bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride.

Molecular Properties

Compound Namebis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride
PubChem CID158313445
Molecular FormulaC62H73Br4Cl2N11O9
Molecular Weight1506.86 g/mol
Exact Mass1501.17
IUPAC Namebis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)O)Cc2c1[nH]c1ccc(Br)cc21.CC(C)(C)OC(=O)NC1CC(C(N)=O)Cc2c1[nH]c1ccc(Br)cc21.Cl.Cl.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1
InChIInChI=1S/C18H22BrN3O3.C18H21BrN2O4.2C13H14BrN3O.2ClH/c1-18(2,3)25-17(24)22-14-7-9(16(20)23)6-12-11-8-10(19)4-5-13(11)21-15(12)14;1-18(2,3)25-17(24)21-14-7-9(16(22)23)6-12-11-8-10(19)4-5-13(11)20-15(12)14;2*14-7-1-2-11-8(5-7)9-3-6(13(16)18)4-10(15)12(9)17-11;;/h4-5,8-9,14,21H,6-7H2,1-3H3,(H2,20,23)(H,22,24);4-5,8-9,14,20H,6-7H2,1-3H3,(H,21,24)(H,22,23);2*1-2,5-6,10,17H,3-4,15H2,(H2,16,18);2*1H
InChIKeySLOOZMUYWUDTLK-UHFFFAOYSA-N
XLogP12.49
TPSA358.43 Ų
H-Bond Donors12
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.86
LogP ≤ 512.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride with MolForge

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Related Compounds

tert-butyl N-[6-bromo-3-(dimethylcarbamoyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]carbamate
CID 137385794
bis(1-amino-N-(2-aminoethyl)-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-[6-bromo-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl]carbamate;ethyl 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylate
CID 159671363
1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboperoxoic acid
CID 153493826
CID 161314861
CID 161314861
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentane-1-carboxylic acid
CID 117272613
5-bromo-2,3-dihydro-1H-inden-1-amine;tert-butyl N-(5-bromo-2,3-dihydro-1H-inden-1-yl)carbamate
CID 164982080
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445
(1R,3S)-3-amino-2,3-dihydro-1H-indene-1-carboxamide;(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 158629693
methyl 6-bromo-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 66938266
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclohexane-1-carboxylic acid
CID 175562199
6-bromo-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 3414756

Frequently Asked Questions

What is the IUPAC name of bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride?
The IUPAC name of bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride (CID 158313445) is bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride.
What is the SMILES notation for bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride?
The canonical SMILES for bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride is CC(C)(C)OC(=O)NC1CC(C(=O)O)Cc2c1[nH]c1ccc(Br)cc21.CC(C)(C)OC(=O)NC1CC(C(N)=O)Cc2c1[nH]c1ccc(Br)cc21.Cl.Cl.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1.NC(=O)C1Cc2c([nH]c3ccc(Br)cc23)C(N)C1.
What is the InChIKey of bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride?
The InChIKey is SLOOZMUYWUDTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3.C18H21BrN2O4.2C13H14BrN3O.2ClH/c1-18(2,3)25-17(24)22-14-7-9(16(20)23)6-12-11-8-10(19)4-5-13(11)21-15(12)14;1-18(2,3)25-17(24)21-14-7-9(16(22)23)6-12-11-8-10(19)4-5-13(11)20-15(12)14;2*14-7-1-2-11-8(5-7)9-3-6(13(16)18)4-10(15)12(9)17-11;;/h4-5,8-9,14,21H,6-7H2,1-3H3,(H2,20,23)(H,22,24);4-5,8-9,14,20H,6-7H2,1-3H3,(H,21,24)(H,22,23);2*1-2,5-6,10,17H,3-4,15H2,(H2,16,18);2*1H.
What are the key properties of bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride?
bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride has a molecular weight of 1506.86 g/mol, XLogP of 12.49, 6 rotatable bonds, 12 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-amino-6-bromo-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide);6-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid;tert-butyl N-(6-bromo-3-carbamoyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)carbamate;dihydrochloride is sourced from PubChem (CID 158313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).