(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

C24H20N2O3 — CID 71517200

IUPAC(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc23)C1
InChIInChI=1S/C24H20N2O3/c27-18-8-11-22-21(14-18)20-12-13-26(15-23(20)25-22)24(28)29-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14,25,27H,12-13,15H2
InChIKeyALVQMTIPUHDWOV-UHFFFAOYSA-N
MW384.44 g/mol
LogP5.10
Rot. Bonds2

About (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (PubChem CID 71517200) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
PubChem CID71517200
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
SMILESO=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc23)C1
InChIInChI=1S/C24H20N2O3/c27-18-8-11-22-21(14-18)20-12-13-26(15-23(20)25-22)24(28)29-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14,25,27H,12-13,15H2
InChIKeyALVQMTIPUHDWOV-UHFFFAOYSA-N
XLogP5.10
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-phenylphenyl) 6-hydroxy-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 71519501
N-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-N-methylcarbamoyl iodide
CID 118884497
phenyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 61327924
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113090173
ethyl 6-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate
CID 113090109
[5-(4-phenylphenyl)furan-2-yl]-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 118705915
1-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-(4-methylphenoxy)ethanone
CID 113090208
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 113090192
3-phenoxy-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 110867183
morpholin-4-yl(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 110874353
(3-methoxyphenyl)-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanone
CID 11594688
N-[2-(3-hydroxyanilino)-2-oxoethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 42506966

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The IUPAC name of (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate (CID 71517200) is (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate.
What is the SMILES notation for (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The canonical SMILES for (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is O=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc23)C1.
What is the InChIKey of (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
The InChIKey is ALVQMTIPUHDWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-18-8-11-22-21(14-18)20-12-13-26(15-23(20)25-22)24(28)29-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-11,14,25,27H,12-13,15H2.
What are the key properties of (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate?
(4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate has a molecular weight of 384.44 g/mol, XLogP of 5.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl) 6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate is sourced from PubChem (CID 71517200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).