(Z)-2-quinolin-4-yloctadec-9-enamide

C27H40N2O — CID 122703946

IUPAC(Z)-2-quinolin-4-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)c1ccnc2ccccc12
InChIInChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27(28)30)23-21-22-29-26-20-17-16-18-24(23)26/h9-10,16-18,20-22,25H,2-8,11-15,19H2,1H3,(H2,28,30)/b10-9-
InChIKeyNFABSMJHJNSPAJ-KTKRTIGZSA-N
MW408.63 g/mol
LogP7.45
Rot. Bonds16

About (Z)-2-quinolin-4-yloctadec-9-enamide

(Z)-2-quinolin-4-yloctadec-9-enamide (PubChem CID 122703946) has the molecular formula C27H40N2O and a molecular weight of 408.63 g/mol. Its IUPAC name is (Z)-2-quinolin-4-yloctadec-9-enamide.

Molecular Properties

Compound Name(Z)-2-quinolin-4-yloctadec-9-enamide
PubChem CID122703946
Molecular FormulaC27H40N2O
Molecular Weight408.63 g/mol
Exact Mass408.31
IUPAC Name(Z)-2-quinolin-4-yloctadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCC(C(N)=O)c1ccnc2ccccc12
InChIInChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27(28)30)23-21-22-29-26-20-17-16-18-24(23)26/h9-10,16-18,20-22,25H,2-8,11-15,19H2,1H3,(H2,28,30)/b10-9-
InChIKeyNFABSMJHJNSPAJ-KTKRTIGZSA-N
XLogP7.45
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.63
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
2-pyridin-2-yloctadec-9-enoic acid
CID 67887728
3-quinolin-4-ylpentan-2-one
CID 63196425
2-(2-aminophenyl)octanamide
CID 141183798
2-(3-hydroxyphenyl)icos-11-enamide
CID 70479250
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
1-quinolin-4-yldecan-1-one
CID 105086389
1-quinolin-4-yloct-7-enylhydrazine
CID 107013009
2-phenylheptanamide
CID 67221214
(Z)-1-(1,3-benzoxazol-2-yl)octadec-9-en-1-ol
CID 68853918
2-hexadecylicos-11-enamide
CID 173011844

Frequently Asked Questions

What is the IUPAC name of (Z)-2-quinolin-4-yloctadec-9-enamide?
The IUPAC name of (Z)-2-quinolin-4-yloctadec-9-enamide (CID 122703946) is (Z)-2-quinolin-4-yloctadec-9-enamide.
What is the SMILES notation for (Z)-2-quinolin-4-yloctadec-9-enamide?
The canonical SMILES for (Z)-2-quinolin-4-yloctadec-9-enamide is CCCCCCCC/C=C\CCCCCCC(C(N)=O)c1ccnc2ccccc12.
What is the InChIKey of (Z)-2-quinolin-4-yloctadec-9-enamide?
The InChIKey is NFABSMJHJNSPAJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C27H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-25(27(28)30)23-21-22-29-26-20-17-16-18-24(23)26/h9-10,16-18,20-22,25H,2-8,11-15,19H2,1H3,(H2,28,30)/b10-9-.
What are the key properties of (Z)-2-quinolin-4-yloctadec-9-enamide?
(Z)-2-quinolin-4-yloctadec-9-enamide has a molecular weight of 408.63 g/mol, XLogP of 7.45, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-quinolin-4-yloctadec-9-enamide is sourced from PubChem (CID 122703946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).