(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

C19H20N2 — CID 15496457

IUPAC(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESC[C@H]1[C@H](c2ccccc2)c2[nH]c3ccccc3c2CN1C
InChIInChI=1S/C19H20N2/c1-13-18(14-8-4-3-5-9-14)19-16(12-21(13)2)15-10-6-7-11-17(15)20-19/h3-11,13,18,20H,12H2,1-2H3/t13-,18+/m0/s1
InChIKeyQYSAKSSHYUVRAL-SCLBCKFNSA-N
MW276.38 g/mol
LogP4.13
Rot. Bonds1

About (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (PubChem CID 15496457) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.

Molecular Properties

Compound Name(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
PubChem CID15496457
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
SMILESC[C@H]1[C@H](c2ccccc2)c2[nH]c3ccccc3c2CN1C
InChIInChI=1S/C19H20N2/c1-13-18(14-8-4-3-5-9-14)19-16(12-21(13)2)15-10-6-7-11-17(15)20-19/h3-11,13,18,20H,12H2,1-2H3/t13-,18+/m0/s1
InChIKeyQYSAKSSHYUVRAL-SCLBCKFNSA-N
XLogP4.13
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 12666884
(2S,3R)-5-methyl-3-phenyl-5,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene
CID 10381147
(2R,3R)-3-(4-methoxyphenyl)-2-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950896
13-methyl-10-phenyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
CID 14661547
(2R,3R)-2-(2-bromophenyl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950900
2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
CID 83756423
(2R,3R)-2-(furan-2-yl)-3-phenyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 134950895
1-phenyl-2,3,4,9-tetrahydro-1H-carbazole
CID 20568385
2-tert-butyl-1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 118880821
(1S,2S,12R,13S,14R)-12-phenyl-4-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-3(11),5,7,9,15-pentaene
CID 102465591
1-cyclobutyl-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141010489
(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl) acetate
CID 67696379

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The IUPAC name of (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole (CID 15496457) is (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole.
What is the SMILES notation for (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The canonical SMILES for (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is C[C@H]1[C@H](c2ccccc2)c2[nH]c3ccccc3c2CN1C.
What is the InChIKey of (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
The InChIKey is QYSAKSSHYUVRAL-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-18(14-8-4-3-5-9-14)19-16(12-21(13)2)15-10-6-7-11-17(15)20-19/h3-11,13,18,20H,12H2,1-2H3/t13-,18+/m0/s1.
What are the key properties of (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole?
(3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole has a molecular weight of 276.38 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,3-dimethyl-4-phenyl-1,3,4,5-tetrahydropyrido[4,3-b]indole is sourced from PubChem (CID 15496457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).