(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C20H22N2 — CID 15496458

IUPAC(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC[C@H]1[C@H](c2ccccc2)c2c(c3ccccc3n2C)CN1C
InChIInChI=1S/C20H22N2/c1-14-19(15-9-5-4-6-10-15)20-17(13-21(14)2)16-11-7-8-12-18(16)22(20)3/h4-12,14,19H,13H2,1-3H3/t14-,19+/m0/s1
InChIKeyNHKUQXJCMOQRAU-IFXJQAMLSA-N
MW290.41 g/mol
LogP4.14
Rot. Bonds1

About (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole

(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 15496458) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID15496458
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESC[C@H]1[C@H](c2ccccc2)c2c(c3ccccc3n2C)CN1C
InChIInChI=1S/C20H22N2/c1-14-19(15-9-5-4-6-10-15)20-17(13-21(14)2)16-11-7-8-12-18(16)22(20)3/h4-12,14,19H,13H2,1-3H3/t14-,19+/m0/s1
InChIKeyNHKUQXJCMOQRAU-IFXJQAMLSA-N
XLogP4.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 15496458) is (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole is C[C@H]1[C@H](c2ccccc2)c2c(c3ccccc3n2C)CN1C.
What is the InChIKey of (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is NHKUQXJCMOQRAU-IFXJQAMLSA-N. The full InChI is InChI=1S/C20H22N2/c1-14-19(15-9-5-4-6-10-15)20-17(13-21(14)2)16-11-7-8-12-18(16)22(20)3/h4-12,14,19H,13H2,1-3H3/t14-,19+/m0/s1.
What are the key properties of (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
(3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 290.41 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,3,5-trimethyl-4-phenyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 15496458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).