N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide

C29H32N2O — CID 126486274

IUPACN-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
SMILESO=C(Nc1cnc2ccccc2c1C1CCCCCCCC1)c1ccccccccc1
InChIInChI=1S/C29H32N2O/c32-29(24-18-12-8-2-1-3-9-13-19-24)31-27-22-30-26-21-15-14-20-25(26)28(27)23-16-10-6-4-5-7-11-17-23/h1-3,8-9,12-15,18-23H,4-7,10-11,16-17H2,(H,31,32)/b2-1-,3-1-,8-2-,9-3+,12-8+,13-9+,18-12+,19-13-,24-18+,24-19+
InChIKeyOKZVKIZFQICTSV-AALRYWFCSA-N
MW424.59 g/mol
LogP7.83
Rot. Bonds3

About N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide

N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide (PubChem CID 126486274) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide.

Molecular Properties

Compound NameN-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
PubChem CID126486274
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC NameN-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
SMILESO=C(Nc1cnc2ccccc2c1C1CCCCCCCC1)c1ccccccccc1
InChIInChI=1S/C29H32N2O/c32-29(24-18-12-8-2-1-3-9-13-19-24)31-27-22-30-26-21-15-14-20-25(26)28(27)23-16-10-6-4-5-7-11-17-23/h1-3,8-9,12-15,18-23H,4-7,10-11,16-17H2,(H,31,32)/b2-1-,3-1-,8-2-,9-3+,12-8+,13-9+,18-12+,19-13-,24-18+,24-19+
InChIKeyOKZVKIZFQICTSV-AALRYWFCSA-N
XLogP7.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide?
The IUPAC name of N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide (CID 126486274) is N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide.
What is the SMILES notation for N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide?
The canonical SMILES for N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide is O=C(Nc1cnc2ccccc2c1C1CCCCCCCC1)c1ccccccccc1.
What is the InChIKey of N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide?
The InChIKey is OKZVKIZFQICTSV-AALRYWFCSA-N. The full InChI is InChI=1S/C29H32N2O/c32-29(24-18-12-8-2-1-3-9-13-19-24)31-27-22-30-26-21-15-14-20-25(26)28(27)23-16-10-6-4-5-7-11-17-23/h1-3,8-9,12-15,18-23H,4-7,10-11,16-17H2,(H,31,32)/b2-1-,3-1-,8-2-,9-3+,12-8+,13-9+,18-12+,19-13-,24-18+,24-19+.
What are the key properties of N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide?
N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide has a molecular weight of 424.59 g/mol, XLogP of 7.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide is sourced from PubChem (CID 126486274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).