9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole

C25H29N3O — CID 162754930

IUPAC9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(OCCN4CCCCCC4)ccc3n(C)c12
InChIInChI=1S/C25H29N3O/c1-18-21-9-10-26-17-19(21)15-23-22-16-20(7-8-24(22)27(2)25(18)23)29-14-13-28-11-5-3-4-6-12-28/h7-10,15-17H,3-6,11-14H2,1-2H3
InChIKeyVKSNOVYEVACQDG-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.44
Rot. Bonds4

About 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole

9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole (PubChem CID 162754930) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole.

Molecular Properties

Compound Name9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
PubChem CID162754930
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(OCCN4CCCCCC4)ccc3n(C)c12
InChIInChI=1S/C25H29N3O/c1-18-21-9-10-26-17-19(21)15-23-22-16-20(7-8-24(22)27(2)25(18)23)29-14-13-28-11-5-3-4-6-12-28/h7-10,15-17H,3-6,11-14H2,1-2H3
InChIKeyVKSNOVYEVACQDG-UHFFFAOYSA-N
XLogP5.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-fluoro-5,6-dimethyl-9-(2-piperidin-1-ylethoxy)pyrido[4,3-b]carbazole
CID 162755003
4-[2-(5,6-dimethylpyrido[4,3-b]carbazol-8-yl)oxyethyl]morpholine
CID 162755206
9-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162755280
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
4-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypyridin-2-amine
CID 162755193
N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
CID 166986452
2-[1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-yl]isoindole-1,3-dione
CID 166986426
N-[2-(dimethylamino)ethyl]-2-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxyacetamide
CID 162755000
5,11-dimethyl-9-phenylmethoxy-6-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[4,3-b]carbazole
CID 170945956
2-(10,11-dimethylpyrido[3,4-b]carbazol-7-yl)oxyethanimidamide
CID 162755037
1-[2-(3,4-dimethylphenoxy)ethyl]azepane
CID 82086608
N-[(2S)-1-methoxypropan-2-yl]-5,6-dimethylpyrido[4,3-b]carbazole-9-carboxamide
CID 162755054

Frequently Asked Questions

What is the IUPAC name of 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole?
The IUPAC name of 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole (CID 162754930) is 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole.
What is the SMILES notation for 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole?
The canonical SMILES for 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole is Cc1c2ccncc2cc2c3cc(OCCN4CCCCCC4)ccc3n(C)c12.
What is the InChIKey of 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole?
The InChIKey is VKSNOVYEVACQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-21-9-10-26-17-19(21)15-23-22-16-20(7-8-24(22)27(2)25(18)23)29-14-13-28-11-5-3-4-6-12-28/h7-10,15-17H,3-6,11-14H2,1-2H3.
What are the key properties of 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole?
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole has a molecular weight of 387.53 g/mol, XLogP of 5.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole is sourced from PubChem (CID 162754930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).