7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one

C34H49NO3 — CID 5128459

IUPAC7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)[nH]c2cc(OC)ccc12
InChIInChI=1S/C34H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-33-22-19-18-21-30(33)31-27-34(36)35-32-26-28(37-2)23-24-29(31)32/h18-19,21-24,26-27H,3-17,20,25H2,1-2H3,(H,35,36)
InChIKeyVDBXIXASKBCFQR-UHFFFAOYSA-N
MW519.77 g/mol
LogP9.84
Rot. Bonds20

About 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one

7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one (PubChem CID 5128459) has the molecular formula C34H49NO3 and a molecular weight of 519.77 g/mol. Its IUPAC name is 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one
PubChem CID5128459
Molecular FormulaC34H49NO3
Molecular Weight519.77 g/mol
Exact Mass519.37
IUPAC Name7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)[nH]c2cc(OC)ccc12
InChIInChI=1S/C34H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-33-22-19-18-21-30(33)31-27-34(36)35-32-26-28(37-2)23-24-29(31)32/h18-19,21-24,26-27H,3-17,20,25H2,1-2H3,(H,35,36)
InChIKeyVDBXIXASKBCFQR-UHFFFAOYSA-N
XLogP9.84
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.77
LogP ≤ 59.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-octoxyphenyl)-9H-carbazole
CID 174629986
3-hydroxy-4-methoxy-7-octoxy-1H-quinolin-2-one
CID 139717151
4-(3-hydroxyphenyl)-7-methoxy-1H-quinolin-2-one
CID 139956897
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
1-octadecoxy-2-phenylbenzene
CID 70983974
5,10,15,20-tetrakis(2-dodecoxyphenyl)-21,22,23,24-tetrahydroporphyrin
CID 91023938
5-methoxy-2-nonoxyaniline
CID 43128995
ethane;7-pentoxy-1H-quinolin-2-one
CID 144829550
3-heptoxy-6-(2-octoxyphenyl)pyridazine
CID 19909321
2-(2-heptoxyphenyl)benzoic acid
CID 70433575
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
4-hydroxy-7-methoxy-3-(2-methoxyphenyl)-1H-quinolin-2-one
CID 54691271

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one (CID 5128459) is 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one is CCCCCCCCCCCCCCCCCCOc1ccccc1-c1cc(=O)[nH]c2cc(OC)ccc12.
What is the InChIKey of 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one?
The InChIKey is VDBXIXASKBCFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-38-33-22-19-18-21-30(33)31-27-34(36)35-32-26-28(37-2)23-24-29(31)32/h18-19,21-24,26-27H,3-17,20,25H2,1-2H3,(H,35,36).
What are the key properties of 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one?
7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one has a molecular weight of 519.77 g/mol, XLogP of 9.84, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(2-octadecoxyphenyl)-1H-quinolin-2-one is sourced from PubChem (CID 5128459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).