(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone

C19H17FN2O — CID 32836266

IUPAC(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C19H17FN2O/c1-12-4-2-3-5-14(12)19(23)22-9-8-18-16(11-22)15-10-13(20)6-7-17(15)21-18/h2-7,10,21H,8-9,11H2,1H3
InChIKeyHXQANAVMUDVONS-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.81
Rot. Bonds1

About (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone

(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone (PubChem CID 32836266) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
PubChem CID32836266
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C19H17FN2O/c1-12-4-2-3-5-14(12)19(23)22-9-8-18-16(11-22)15-10-13(20)6-7-17(15)21-18/h2-7,10,21H,8-9,11H2,1H3
InChIKeyHXQANAVMUDVONS-UHFFFAOYSA-N
XLogP3.81
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(7-chloro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113089789
(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-fluorophenyl)methanone
CID 32854805
(2-methylphenyl)-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)methanone
CID 84582659
(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(2-methylphenyl)methanone
CID 113090173
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 30858199
1-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(3-methylphenyl)ethanone
CID 113089232
(4-fluorophenyl)-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 4909744
(2,3-dibromo-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)-(2-methylphenyl)methanone
CID 112536709
2-(3,4-dimethylbenzoyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid
CID 113081838
1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl-(2,4,6-trifluorophenyl)methanone
CID 141122655
2-benzyl-5-(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)isoindole-1,3-dione
CID 33180766
(2,3-dimethoxyphenyl)-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 17464183

Frequently Asked Questions

What is the IUPAC name of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone?
The IUPAC name of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone (CID 32836266) is (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone?
The InChIKey is HXQANAVMUDVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c1-12-4-2-3-5-14(12)19(23)22-9-8-18-16(11-22)15-10-13(20)6-7-17(15)21-18/h2-7,10,21H,8-9,11H2,1H3.
What are the key properties of (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone?
(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone has a molecular weight of 308.36 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-(2-methylphenyl)methanone is sourced from PubChem (CID 32836266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).