[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

C19H24N2O2 — CID 7094073

IUPAC[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCC1(C)C[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CCO1
InChIInChI=1S/C19H24N2O2/c1-19(2)11-13(8-10-23-19)18(22)21-9-7-17-15(12-21)14-5-3-4-6-16(14)20-17/h3-6,13,20H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyUOTICQZRTZNIMS-CYBMUJFWSA-N
MW312.41 g/mol
LogP3.26
Rot. Bonds1

About [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone

[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (PubChem CID 7094073) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
PubChem CID7094073
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
SMILESCC1(C)C[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CCO1
InChIInChI=1S/C19H24N2O2/c1-19(2)11-13(8-10-23-19)18(22)21-9-7-17-15(12-21)14-5-3-4-6-16(14)20-17/h3-6,13,20H,7-12H2,1-2H3/t13-/m1/s1
InChIKeyUOTICQZRTZNIMS-CYBMUJFWSA-N
XLogP3.26
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 34675984
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CID 51649026
[1-(4-fluorobenzoyl)piperidin-3-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 42886803
(5S)-1-cyclopentyl-5-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)piperidin-2-one
CID 26318760
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
pyrrolidin-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 113203529
2,2-dimethyl-1-[2-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 55572930
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
(8-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(oxolan-3-yl)methanone
CID 70749177
3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)-3,4-dihydroisochromen-1-one
CID 42934976
cyclopropyl-(8-propan-2-yl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 113089389
[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 55491631

Frequently Asked Questions

What is the IUPAC name of [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The IUPAC name of [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone (CID 7094073) is [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone.
What is the SMILES notation for [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The canonical SMILES for [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is CC1(C)C[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CCO1.
What is the InChIKey of [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
The InChIKey is UOTICQZRTZNIMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-19(2)11-13(8-10-23-19)18(22)21-9-7-17-15(12-21)14-5-3-4-6-16(14)20-17/h3-6,13,20H,7-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone?
[(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone has a molecular weight of 312.41 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2,2-dimethyloxan-4-yl]-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone is sourced from PubChem (CID 7094073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).