6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]

C24H28N2 — CID 142894035

IUPAC6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
SMILESCc1ccc2[nH]c3c(c2c1)CCNC31CCCC(c2ccccc2)CC1
InChIInChI=1S/C24H28N2/c1-17-9-10-22-21(16-17)20-12-15-25-24(23(20)26-22)13-5-8-19(11-14-24)18-6-3-2-4-7-18/h2-4,6-7,9-10,16,19,25-26H,5,8,11-15H2,1H3
InChIKeyMIKZIKXAMYMZFR-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.57
Rot. Bonds1

About 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]

6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] (PubChem CID 142894035) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane].

Molecular Properties

Compound Name6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
PubChem CID142894035
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]
SMILESCc1ccc2[nH]c3c(c2c1)CCNC31CCCC(c2ccccc2)CC1
InChIInChI=1S/C24H28N2/c1-17-9-10-22-21(16-17)20-12-15-25-24(23(20)26-22)13-5-8-19(11-14-24)18-6-3-2-4-7-18/h2-4,6-7,9-10,16,19,25-26H,5,8,11-15H2,1H3
InChIKeyMIKZIKXAMYMZFR-UHFFFAOYSA-N
XLogP5.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The IUPAC name of 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] (CID 142894035) is 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane].
What is the SMILES notation for 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The canonical SMILES for 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] is Cc1ccc2[nH]c3c(c2c1)CCNC31CCCC(c2ccccc2)CC1.
What is the InChIKey of 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
The InChIKey is MIKZIKXAMYMZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-17-9-10-22-21(16-17)20-12-15-25-24(23(20)26-22)13-5-8-19(11-14-24)18-6-3-2-4-7-18/h2-4,6-7,9-10,16,19,25-26H,5,8,11-15H2,1H3.
What are the key properties of 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane]?
6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] has a molecular weight of 344.50 g/mol, XLogP of 5.57, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4'-phenylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cycloheptane] is sourced from PubChem (CID 142894035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).