1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

C23H19NO3 — CID 19590580

IUPAC1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESC#CCOc1ccc(C2CC(=O)Nc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C23H19NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)18-14-22(25)24-19-10-8-15-6-4-5-7-17(15)23(18)19/h1,4-11,13,18H,12,14H2,2H3,(H,24,25)
InChIKeyNRQXWTMDMAFVHN-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one

1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (PubChem CID 19590580) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.

Molecular Properties

Compound Name1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
PubChem CID19590580
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
SMILESC#CCOc1ccc(C2CC(=O)Nc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C23H19NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)18-14-22(25)24-19-10-8-15-6-4-5-7-17(15)23(18)19/h1,4-11,13,18H,12,14H2,2H3,(H,24,25)
InChIKeyNRQXWTMDMAFVHN-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(4-ethoxy-3-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2234146
(1S)-1-(4-hydroxy-3,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 673087
2-[2-ethoxy-4-[(1R)-3-oxo-2,4-dihydro-1H-benzo[f]quinolin-1-yl]phenoxy]acetamide
CID 27279537
(1R)-1-(3-ethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2231068
2-benzylsulfanyl-5-(3-methoxy-4-prop-2-ynoxyphenyl)-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 135969303
1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 630483
(1R)-1-(2,5-dimethoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 801649
(1R)-1-(5-bromo-2-methoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 1169303
(4R)-1-(1,3-benzothiazol-2-yl)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136871233
(7S)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-3-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086087
1-(4-fluorophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2933284
(7S)-3-(3-fluorophenyl)-7-(3-methoxy-4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 94086415

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The IUPAC name of 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one (CID 19590580) is 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one.
What is the SMILES notation for 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The canonical SMILES for 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is C#CCOc1ccc(C2CC(=O)Nc3ccc4ccccc4c32)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
The InChIKey is NRQXWTMDMAFVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-3-12-27-20-11-9-16(13-21(20)26-2)18-14-22(25)24-19-10-8-15-6-4-5-7-17(15)23(18)19/h1,4-11,13,18H,12,14H2,2H3,(H,24,25).
What are the key properties of 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one?
1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one has a molecular weight of 357.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-prop-2-ynoxyphenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one is sourced from PubChem (CID 19590580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).