N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

C19H16FN3O3 — CID 58768545

IUPACN-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(O)c(F)c4)cc3c21
InChIInChI=1S/C19H16FN3O3/c1-9-8-21-19(26)17-16(9)12-6-10(2-4-14(12)23-17)18(25)22-11-3-5-15(24)13(20)7-11/h2-7,9,23-24H,8H2,1H3,(H,21,26)(H,22,25)
InChIKeyDIHHCPWHPAARQK-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.11
Rot. Bonds2

About N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (PubChem CID 58768545) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
PubChem CID58768545
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC NameN-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
SMILESCC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(O)c(F)c4)cc3c21
InChIInChI=1S/C19H16FN3O3/c1-9-8-21-19(26)17-16(9)12-6-10(2-4-14(12)23-17)18(25)22-11-3-5-15(24)13(20)7-11/h2-7,9,23-24H,8H2,1H3,(H,21,26)(H,22,25)
InChIKeyDIHHCPWHPAARQK-UHFFFAOYSA-N
XLogP3.11
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 46851093
4-methyl-N-(4-methylphenyl)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952933
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952932
N-(1,3-benzodioxol-5-yl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15951673
N-[4-(3-hydroxypropylcarbamoyl)phenyl]-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide
CID 15952249
ethyl 3-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]benzoate
CID 15951678
N-(4-carbamoylphenyl)-4,4-dimethyl-1-oxo-3,9-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
CID 15951772
N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
methyl 4-[(1-methyl-4-oxo-1,2,3,5-tetrahydropyrido[4,3-b]indole-8-carbonyl)amino]benzoate
CID 58768502
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The IUPAC name of N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide (CID 58768545) is N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The canonical SMILES for N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(O)c(F)c4)cc3c21.
What is the InChIKey of N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
The InChIKey is DIHHCPWHPAARQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-9-8-21-19(26)17-16(9)12-6-10(2-4-14(12)23-17)18(25)22-11-3-5-15(24)13(20)7-11/h2-7,9,23-24H,8H2,1H3,(H,21,26)(H,22,25).
What are the key properties of N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide?
N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-hydroxyphenyl)-4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide is sourced from PubChem (CID 58768545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).