3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide

C25H26N2O2 — CID 143407379

IUPAC3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide
SMILESC/C=C\C(=C/CC)C(C)NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H26N2O2/c1-4-11-18(12-5-2)17(3)26-25(29)22-20-15-9-10-16-21(20)27-23(24(22)28)19-13-7-6-8-14-19/h4,6-17,28H,5H2,1-3H3,(H,26,29)/b11-4-,18-12+
InChIKeyMRDRUOBGKRAXBJ-UEIKJCJSSA-N
MW386.50 g/mol
LogP5.64
Rot. Bonds6

About 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide

3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide (PubChem CID 143407379) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide
PubChem CID143407379
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide
SMILESC/C=C\C(=C/CC)C(C)NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H26N2O2/c1-4-11-18(12-5-2)17(3)26-25(29)22-20-15-9-10-16-21(20)27-23(24(22)28)19-13-7-6-8-14-19/h4,6-17,28H,5H2,1-3H3,(H,26,29)/b11-4-,18-12+
InChIKeyMRDRUOBGKRAXBJ-UEIKJCJSSA-N
XLogP5.64
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide (CID 143407379) is 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide is C/C=C\C(=C/CC)C(C)NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide?
The InChIKey is MRDRUOBGKRAXBJ-UEIKJCJSSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-4-11-18(12-5-2)17(3)26-25(29)22-20-15-9-10-16-21(20)27-23(24(22)28)19-13-7-6-8-14-19/h4,6-17,28H,5H2,1-3H3,(H,26,29)/b11-4-,18-12+.
What are the key properties of 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide?
3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-N-[(E)-3-[(Z)-prop-1-enyl]hex-3-en-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 143407379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).