6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C27H29NO4 — CID 146306369

IUPAC6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCCCCCC(=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)c1ccco1
InChIInChI=1S/C27H29NO4/c1-3-4-6-10-20(24-13-9-16-32-24)17-19-14-15-23-22(18-19)27(30,21-11-7-5-8-12-21)25(31-2)26(29)28-23/h5,7-9,11-18,25,30H,3-4,6,10H2,1-2H3,(H,28,29)
InChIKeySSQSJHGGUNMJAU-UHFFFAOYSA-N
MW431.53 g/mol
LogP5.60
Rot. Bonds8

About 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306369) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306369
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Name6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCCCCCC(=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)c1ccco1
InChIInChI=1S/C27H29NO4/c1-3-4-6-10-20(24-13-9-16-32-24)17-19-14-15-23-22(18-19)27(30,21-11-7-5-8-12-21)25(31-2)26(29)28-23/h5,7-9,11-18,25,30H,3-4,6,10H2,1-2H3,(H,28,29)
InChIKeySSQSJHGGUNMJAU-UHFFFAOYSA-N
XLogP5.60
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306369) is 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is CCCCCC(=Cc1ccc2c(c1)C(O)(c1ccccc1)C(OC)C(=O)N2)c1ccco1.
What is the InChIKey of 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is SSQSJHGGUNMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-3-4-6-10-20(24-13-9-16-32-24)17-19-14-15-23-22(18-19)27(30,21-11-7-5-8-12-21)25(31-2)26(29)28-23/h5,7-9,11-18,25,30H,3-4,6,10H2,1-2H3,(H,28,29).
What are the key properties of 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 431.53 g/mol, XLogP of 5.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)hept-1-enyl]-4-hydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).