4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole

C23H20ClN3 — CID 3433325

IUPAC4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1(c2ccncc2)NCC(c2ccccc2Cl)c2c1[nH]c1ccccc21
InChIInChI=1S/C23H20ClN3/c1-23(15-10-12-25-13-11-15)22-21(17-7-3-5-9-20(17)27-22)18(14-26-23)16-6-2-4-8-19(16)24/h2-13,18,26-27H,14H2,1H3
InChIKeyBCABKZMHHNPTOY-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.21
Rot. Bonds2

About 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole

4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 3433325) has the molecular formula C23H20ClN3 and a molecular weight of 373.89 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID3433325
Molecular FormulaC23H20ClN3
Molecular Weight373.89 g/mol
Exact Mass373.13
IUPAC Name4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESCC1(c2ccncc2)NCC(c2ccccc2Cl)c2c1[nH]c1ccccc21
InChIInChI=1S/C23H20ClN3/c1-23(15-10-12-25-13-11-15)22-21(17-7-3-5-9-20(17)27-22)18(14-26-23)16-6-2-4-8-19(16)24/h2-13,18,26-27H,14H2,1H3
InChIKeyBCABKZMHHNPTOY-UHFFFAOYSA-N
XLogP5.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4S)-4-(2-chlorophenyl)-6'-fluorospiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-2,3-dihydrothiochromene]
CID 2094109
(1S,4R)-4-(2-chlorophenyl)-5',5'-dimethylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,3'-cyclohexane]-1'-one
CID 2110993
(1R,4R)-4-(2-chlorophenyl)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
CID 2393904
(2S,9R)-9-(2-chlorophenyl)-4-(2-hydroxyethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 6572777
(4R)-4-(2-chlorophenyl)-4'-(2-methylbutan-2-yl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-1,1'-cyclohexane]
CID 2405413
4-(2,3-dimethoxyphenyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 4851787
(2R)-9-(2-chlorophenyl)-4-(2-hydroxy-2-phenylethyl)-2-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 133269527
N-[4-[(1S,4S)-4-(4-methoxyphenyl)-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 2445965
(2S,9R)-9-(2-chlorophenyl)-2-methyl-4-(3-morpholin-4-ylpropyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
CID 6572782
4-(2-chlorophenyl)-8-(2-methoxyphenyl)-2-methyl-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraene-3,5-dione
CID 4835315
(3S,4'R)-4'-(2,3-dimethoxyphenyl)spiro[1,2-dihydroindene-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]
CID 8001502
(1S,4S)-5',5'-dimethyl-4-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-cyclohexane]-1'-one
CID 2554408

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole (CID 3433325) is 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole is CC1(c2ccncc2)NCC(c2ccccc2Cl)c2c1[nH]c1ccccc21.
What is the InChIKey of 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is BCABKZMHHNPTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3/c1-23(15-10-12-25-13-11-15)22-21(17-7-3-5-9-20(17)27-22)18(14-26-23)16-6-2-4-8-19(16)24/h2-13,18,26-27H,14H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 373.89 g/mol, XLogP of 5.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-methyl-1-pyridin-4-yl-2,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 3433325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).