3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

C24H25NO4 — CID 69244736

IUPAC3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
SMILESO=C(O)c1ccc2cc3n(c2c1)CC(O)C(O)c1cc(C2CCCCC2)ccc1-3
InChIInChI=1S/C24H25NO4/c26-22-13-25-20-12-17(24(28)29)7-6-16(20)11-21(25)18-9-8-15(10-19(18)23(22)27)14-4-2-1-3-5-14/h6-12,14,22-23,26-27H,1-5,13H2,(H,28,29)
InChIKeyMRVGAXWMYCDXKG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.46
Rot. Bonds2

About 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (PubChem CID 69244736) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
PubChem CID69244736
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
SMILESO=C(O)c1ccc2cc3n(c2c1)CC(O)C(O)c1cc(C2CCCCC2)ccc1-3
InChIInChI=1S/C24H25NO4/c26-22-13-25-20-12-17(24(28)29)7-6-16(20)11-21(25)18-9-8-15(10-19(18)23(22)27)14-4-2-1-3-5-14/h6-12,14,22-23,26-27H,1-5,13H2,(H,28,29)
InChIKeyMRVGAXWMYCDXKG-UHFFFAOYSA-N
XLogP4.46
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid with MolForge

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Related Compounds

3-cyclohexyl-10,14-diazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1(21),2,4(9),5,7,15,17,19-octaene-7-carboxylic acid
CID 59664843
3-cyclohexyl-4-hydroxybenzoic acid
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4-[(4-cyclohexylphenyl)-sulfanylmethyl]benzoic acid
CID 22216670
4-(5-cyclobutyl-1-pyridin-3-ylindol-2-yl)benzoic acid
CID 154550993
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
13-cyclohexyl-3-hydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
CID 11617733
2-cyclopentylterephthalic acid
CID 174865784
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
2,6-dicyclopentylnaphthalene
CID 91354429
4-[(3R)-3-hydroxypiperidin-1-yl]benzoic acid
CID 94373368
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The IUPAC name of 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid (CID 69244736) is 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is O=C(O)c1ccc2cc3n(c2c1)CC(O)C(O)c1cc(C2CCCCC2)ccc1-3.
What is the InChIKey of 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
The InChIKey is MRVGAXWMYCDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c26-22-13-25-20-12-17(24(28)29)7-6-16(20)11-21(25)18-9-8-15(10-19(18)23(22)27)14-4-2-1-3-5-14/h6-12,14,22-23,26-27H,1-5,13H2,(H,28,29).
What are the key properties of 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid?
3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5,6-dihydroxy-6,7-dihydro-5H-indolo[2,1-a][2]benzazepine-10-carboxylic acid is sourced from PubChem (CID 69244736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).