5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide

C27H30N2O2 — CID 123491834

IUPAC5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O2/c30-25(16-7-17-26(31)29-18-8-10-19-9-1-6-15-24(19)29)28-27-22-13-4-2-11-20(22)21-12-3-5-14-23(21)27/h2-5,11-15,19,27H,1,6-10,16-18H2,(H,28,30)
InChIKeyNOYVWZAVZFKYKQ-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.35
Rot. Bonds5

About 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide

5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide (PubChem CID 123491834) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide
PubChem CID123491834
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC Name5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide
SMILESO=C(CCCC(=O)N1CCCC2CCCC=C21)NC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O2/c30-25(16-7-17-26(31)29-18-8-10-19-9-1-6-15-24(19)29)28-27-22-13-4-2-11-20(22)21-12-3-5-14-23(21)27/h2-5,11-15,19,27H,1,6-10,16-18H2,(H,28,30)
InChIKeyNOYVWZAVZFKYKQ-UHFFFAOYSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide?
The IUPAC name of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide (CID 123491834) is 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide?
The canonical SMILES for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide is O=C(CCCC(=O)N1CCCC2CCCC=C21)NC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide?
The InChIKey is NOYVWZAVZFKYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c30-25(16-7-17-26(31)29-18-8-10-19-9-1-6-15-24(19)29)28-27-22-13-4-2-11-20(22)21-12-3-5-14-23(21)27/h2-5,11-15,19,27H,1,6-10,16-18H2,(H,28,30).
What are the key properties of 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide?
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide has a molecular weight of 414.55 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-(9H-fluoren-9-yl)-5-oxopentanamide is sourced from PubChem (CID 123491834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).