6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

C22H23NO4 — CID 146306378

IUPAC6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=C3CCCC3)c(O)c2C1(O)c1ccccc1
InChIInChI=1S/C22H23NO4/c1-27-20-21(25)23-17-12-11-15(13-14-7-5-6-8-14)19(24)18(17)22(20,26)16-9-3-2-4-10-16/h2-4,9-13,20,24,26H,5-8H2,1H3,(H,23,25)
InChIKeyLZHWOFZDGHFQDQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.55
Rot. Bonds3

About 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one

6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (PubChem CID 146306378) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
PubChem CID146306378
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
SMILESCOC1C(=O)Nc2ccc(C=C3CCCC3)c(O)c2C1(O)c1ccccc1
InChIInChI=1S/C22H23NO4/c1-27-20-21(25)23-17-12-11-15(13-14-7-5-6-8-14)19(24)18(17)22(20,26)16-9-3-2-4-10-16/h2-4,9-13,20,24,26H,5-8H2,1H3,(H,23,25)
InChIKeyLZHWOFZDGHFQDQ-UHFFFAOYSA-N
XLogP3.55
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The IUPAC name of 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one (CID 146306378) is 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The canonical SMILES for 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is COC1C(=O)Nc2ccc(C=C3CCCC3)c(O)c2C1(O)c1ccccc1.
What is the InChIKey of 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
The InChIKey is LZHWOFZDGHFQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-27-20-21(25)23-17-12-11-15(13-14-7-5-6-8-14)19(24)18(17)22(20,26)16-9-3-2-4-10-16/h2-4,9-13,20,24,26H,5-8H2,1H3,(H,23,25).
What are the key properties of 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one?
6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one has a molecular weight of 365.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylidenemethyl)-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 146306378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).