3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one

C24H28N4O — CID 70194279

IUPAC3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one
SMILESCN1CCN(Cc2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1
InChIInChI=1S/C24H28N4O/c1-24(2)19-12-15(14-28-10-8-27(3)9-11-28)4-6-17(19)22(29)21-18-7-5-16(25)13-20(18)26-23(21)24/h4-7,12-13,26H,8-11,14,25H2,1-3H3
InChIKeyJUWRYUGSAZOCEX-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.37
Rot. Bonds2

About 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one

3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one (PubChem CID 70194279) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one
PubChem CID70194279
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one
SMILESCN1CCN(Cc2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1
InChIInChI=1S/C24H28N4O/c1-24(2)19-12-15(14-28-10-8-27(3)9-11-28)4-6-17(19)22(29)21-18-7-5-16(25)13-20(18)26-23(21)24/h4-7,12-13,26H,8-11,14,25H2,1-3H3
InChIKeyJUWRYUGSAZOCEX-UHFFFAOYSA-N
XLogP3.37
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70196121
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767
3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
CID 70193222
4-(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70195507
3-amino-8-[2-(diethylamino)ethoxy]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67127731
ethyl 2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazol-8-yl)oxy]acetate
CID 70194810
3-amino-8-(2,3-dihydroxypropylsulfanyl)-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 67150011
8-[(1-aminosulfanylpiperidin-4-yl)methyl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
CID 135211180
3-amino-N-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 163989311
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
CID 67150090
3-amino-9-[3-(dimethylamino)prop-1-ynyl]-6,6-dimethyl-8-morpholin-4-yl-5H-benzo[b]carbazol-11-one
CID 70195285
3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one
CID 70195798

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one (CID 70194279) is 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one is CN1CCN(Cc2ccc3c(c2)C(C)(C)c2[nH]c4cc(N)ccc4c2C3=O)CC1.
What is the InChIKey of 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one?
The InChIKey is JUWRYUGSAZOCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-24(2)19-12-15(14-28-10-8-27(3)9-11-28)4-6-17(19)22(29)21-18-7-5-16(25)13-20(18)26-23(21)24/h4-7,12-13,26H,8-11,14,25H2,1-3H3.
What are the key properties of 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one?
3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one has a molecular weight of 388.52 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70194279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).