3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one

C23H23N3O — CID 70194657

IUPAC3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(C3=CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C23H23N3O/c1-23(2)18-11-14(13-7-9-25-10-8-13)3-5-16(18)21(27)20-17-6-4-15(24)12-19(17)26-22(20)23/h3-7,11-12,25-26H,8-10,24H2,1-2H3
InChIKeyICJNZJBNHXQJSP-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.00
Rot. Bonds1

About 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one

3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one (PubChem CID 70194657) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
PubChem CID70194657
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCC1(C)c2cc(C3=CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21
InChIInChI=1S/C23H23N3O/c1-23(2)18-11-14(13-7-9-25-10-8-13)3-5-16(18)21(27)20-17-6-4-15(24)12-19(17)26-22(20)23/h3-7,11-12,25-26H,8-10,24H2,1-2H3
InChIKeyICJNZJBNHXQJSP-UHFFFAOYSA-N
XLogP4.00
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-6,6-dimethyl-8-piperidin-4-yloxy-5H-benzo[b]carbazol-11-one
CID 70193222
3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxylic acid
CID 70193767
8-methoxy-3,6,6-trimethyl-9-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one
CID 167193452
3-amino-6,6-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-5H-benzo[b]carbazol-11-one
CID 70194279
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
3-amino-N-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carboxamide
CID 163989311
3-amino-8-[4-(2-hydroxyethyl)piperazin-1-yl]-6,6-dimethyl-5H-benzo[b]carbazol-11-one
CID 70196121
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
10,10-dimethyl-5-oxo-8-(1,2,3,6-tetrahydropyridin-4-yl)-11H-benzo[b]fluorene-2-carbonitrile
CID 153171922
tert-butyl N-[2-[(3-amino-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-8-carbonyl)amino]ethyl]carbamate
CID 67150090

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one (CID 70194657) is 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one is CC1(C)c2cc(C3=CCNCC3)ccc2C(=O)c2c1[nH]c1cc(N)ccc21.
What is the InChIKey of 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
The InChIKey is ICJNZJBNHXQJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-23(2)18-11-14(13-7-9-25-10-8-13)3-5-16(18)21(27)20-17-6-4-15(24)12-19(17)26-22(20)23/h3-7,11-12,25-26H,8-10,24H2,1-2H3.
What are the key properties of 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one?
3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one has a molecular weight of 357.46 g/mol, XLogP of 4.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6-dimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70194657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).