4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol

C30H27FN2O2 — CID 22633271

IUPAC4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol
SMILESCOc1cc(C2Nc3ccc(CN)cc3C3c4ccccc4CC23)c(-c2ccccc2F)cc1O
InChIInChI=1S/C30H27FN2O2/c1-35-28-15-22(21(14-27(28)34)20-8-4-5-9-25(20)31)30-24-13-18-6-2-3-7-19(18)29(24)23-12-17(16-32)10-11-26(23)33-30/h2-12,14-15,24,29-30,33-34H,13,16,32H2,1H3
InChIKeyMOBXGXJXYMVKDR-UHFFFAOYSA-N
MW466.56 g/mol
LogP6.14
Rot. Bonds4

About 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol

4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol (PubChem CID 22633271) has the molecular formula C30H27FN2O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol
PubChem CID22633271
Molecular FormulaC30H27FN2O2
Molecular Weight466.56 g/mol
Exact Mass466.21
IUPAC Name4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol
SMILESCOc1cc(C2Nc3ccc(CN)cc3C3c4ccccc4CC23)c(-c2ccccc2F)cc1O
InChIInChI=1S/C30H27FN2O2/c1-35-28-15-22(21(14-27(28)34)20-8-4-5-9-25(20)31)30-24-13-18-6-2-3-7-19(18)29(24)23-12-17(16-32)10-11-26(23)33-30/h2-12,14-15,24,29-30,33-34H,13,16,32H2,1H3
InChIKeyMOBXGXJXYMVKDR-UHFFFAOYSA-N
XLogP6.14
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.56
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol?
The IUPAC name of 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol (CID 22633271) is 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol.
What is the SMILES notation for 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol?
The canonical SMILES for 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol is COc1cc(C2Nc3ccc(CN)cc3C3c4ccccc4CC23)c(-c2ccccc2F)cc1O.
What is the InChIKey of 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol?
The InChIKey is MOBXGXJXYMVKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN2O2/c1-35-28-15-22(21(14-27(28)34)20-8-4-5-9-25(20)31)30-24-13-18-6-2-3-7-19(18)29(24)23-12-17(16-32)10-11-26(23)33-30/h2-12,14-15,24,29-30,33-34H,13,16,32H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol?
4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol has a molecular weight of 466.56 g/mol, XLogP of 6.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5-(2-fluorophenyl)-2-methoxyphenol is sourced from PubChem (CID 22633271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).