3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one

C27H33N3O2 — CID 70195798

IUPAC3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCOc1cc2c(cc1C1CCN(C(C)C)CC1)C(=O)c1c([nH]c3cc(N)ccc13)C2(C)C
InChIInChI=1S/C27H33N3O2/c1-15(2)30-10-8-16(9-11-30)19-13-20-21(14-23(19)32-5)27(3,4)26-24(25(20)31)18-7-6-17(28)12-22(18)29-26/h6-7,12-16,29H,8-11,28H2,1-5H3
InChIKeyBKDSDEVIUQQHOV-UHFFFAOYSA-N
MW431.58 g/mol
LogP5.22
Rot. Bonds3

About 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one

3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one (PubChem CID 70195798) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one
PubChem CID70195798
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one
SMILESCOc1cc2c(cc1C1CCN(C(C)C)CC1)C(=O)c1c([nH]c3cc(N)ccc13)C2(C)C
InChIInChI=1S/C27H33N3O2/c1-15(2)30-10-8-16(9-11-30)19-13-20-21(14-23(19)32-5)27(3,4)26-24(25(20)31)18-7-6-17(28)12-22(18)29-26/h6-7,12-16,29H,8-11,28H2,1-5H3
InChIKeyBKDSDEVIUQQHOV-UHFFFAOYSA-N
XLogP5.22
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one (CID 70195798) is 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one is COc1cc2c(cc1C1CCN(C(C)C)CC1)C(=O)c1c([nH]c3cc(N)ccc13)C2(C)C.
What is the InChIKey of 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one?
The InChIKey is BKDSDEVIUQQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-15(2)30-10-8-16(9-11-30)19-13-20-21(14-23(19)32-5)27(3,4)26-24(25(20)31)18-7-6-17(28)12-22(18)29-26/h6-7,12-16,29H,8-11,28H2,1-5H3.
What are the key properties of 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one?
3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one has a molecular weight of 431.58 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-methoxy-6,6-dimethyl-9-(1-propan-2-ylpiperidin-4-yl)-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 70195798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).