3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate

C24H25NO4 — CID 134596988

IUPAC3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc2cc(-c3ccccc3)c(=O)n(C(C)C)c2c1
InChIInChI=1S/C24H25NO4/c1-4-23(26)29-14-8-13-28-20-12-11-19-15-21(18-9-6-5-7-10-18)24(27)25(17(2)3)22(19)16-20/h4-7,9-12,15-17H,1,8,13-14H2,2-3H3
InChIKeyDWUOUQCTENHVDC-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.75
Rot. Bonds8

About 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate

3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate (PubChem CID 134596988) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate.

Molecular Properties

Compound Name3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate
PubChem CID134596988
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc2cc(-c3ccccc3)c(=O)n(C(C)C)c2c1
InChIInChI=1S/C24H25NO4/c1-4-23(26)29-14-8-13-28-20-12-11-19-15-21(18-9-6-5-7-10-18)24(27)25(17(2)3)22(19)16-20/h4-7,9-12,15-17H,1,8,13-14H2,2-3H3
InChIKeyDWUOUQCTENHVDC-UHFFFAOYSA-N
XLogP4.75
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;[(E)-8-(2-oxo-3-phenylchromen-7-yl)oxyoct-4-enyl] prop-2-enoate
CID 145263388
[4,5-dihydroxy-6-(1-methyl-2-phenylindol-6-yl)oxyhexyl] prop-2-enoate
CID 154601572
11-naphthalen-2-yloxyundecyl prop-2-enoate
CID 164916140
6-naphthalen-2-yloxyhexyl prop-2-enoate
CID 22598602
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
3-[4-[N-[4-methyl-3-[4-(4-phenylphenyl)phenyl]phenyl]-4-(3-prop-2-enoyloxypropoxy)anilino]phenoxy]propyl prop-2-enoate
CID 135253996
3-[4-(4-phenanthren-9-yl-N-[4-(3-prop-2-enoyloxypropoxy)phenyl]anilino)phenoxy]propyl prop-2-enoate
CID 135254020
(E)-3-[6-(8-prop-2-enoyloxyoctoxy)naphthalen-2-yl]prop-2-enoic acid
CID 144827008
[5-hydroxy-6-(2-phenyl-1-propan-2-ylindol-6-yl)oxyhexyl] 2-methylprop-2-enoate
CID 154029952
4-[(2-phenyl-3H-inden-5-yl)oxy]butyl prop-2-enoate
CID 155221904
[4,4-difluoro-7-[4-(1-methylindol-2-yl)phenoxy]heptyl] prop-2-enoate
CID 146391181
1-methyl-3-[4-(13-oxopentadec-14-enoxy)phenyl]quinolin-2-one
CID 134597004

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate?
The IUPAC name of 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate (CID 134596988) is 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate.
What is the SMILES notation for 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate?
The canonical SMILES for 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate is C=CC(=O)OCCCOc1ccc2cc(-c3ccccc3)c(=O)n(C(C)C)c2c1.
What is the InChIKey of 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate?
The InChIKey is DWUOUQCTENHVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-23(26)29-14-8-13-28-20-12-11-19-15-21(18-9-6-5-7-10-18)24(27)25(17(2)3)22(19)16-20/h4-7,9-12,15-17H,1,8,13-14H2,2-3H3.
What are the key properties of 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate?
3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate has a molecular weight of 391.47 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-3-phenyl-1-propan-2-ylquinolin-7-yl)oxypropyl prop-2-enoate is sourced from PubChem (CID 134596988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).