1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C20H21FN2 — CID 3280315

IUPAC1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(F)cc(C2NCCc3c2[nH]c2cc(C)cc(C)c32)c1
InChIInChI=1S/C20H21FN2/c1-11-6-13(3)18-16-4-5-22-19(20(16)23-17(18)9-11)14-7-12(2)8-15(21)10-14/h6-10,19,22-23H,4-5H2,1-3H3
InChIKeyRDNVENISGTYTLW-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.47
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 3280315) has the molecular formula C20H21FN2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID3280315
Molecular FormulaC20H21FN2
Molecular Weight308.40 g/mol
Exact Mass308.17
IUPAC Name1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESCc1cc(F)cc(C2NCCc3c2[nH]c2cc(C)cc(C)c32)c1
InChIInChI=1S/C20H21FN2/c1-11-6-13(3)18-16-4-5-22-19(20(16)23-17(18)9-11)14-7-12(2)8-15(21)10-14/h6-10,19,22-23H,4-5H2,1-3H3
InChIKeyRDNVENISGTYTLW-UHFFFAOYSA-N
XLogP4.47
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole with MolForge

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Related Compounds

1-(2,4-dimethylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4274645
5,7-dimethyl-1-(4-phenoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4042390
1-(1,3-benzodioxol-5-yl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5222476
1-(2-iodophenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3953952
6-ethoxy-1-(3-fluoro-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3950884
1-(5-chloro-2-methoxy-3-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3973875
1-(4-fluorophenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 90484169
6-chloro-1-(3,5-dimethylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3915383
1-(3-bromo-5-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 5194964
1-(3-bromo-5-methylphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4618406
N,5,7-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333320
1-(4-methoxy-3,5-dimethylphenyl)-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3505965

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 3280315) is 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Cc1cc(F)cc(C2NCCc3c2[nH]c2cc(C)cc(C)c32)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is RDNVENISGTYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2/c1-11-6-13(3)18-16-4-5-22-19(20(16)23-17(18)9-11)14-7-12(2)8-15(21)10-14/h6-10,19,22-23H,4-5H2,1-3H3.
What are the key properties of 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 308.40 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)-5,7-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 3280315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).