[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate

C23H21NO4 — CID 1261142

IUPAC[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC
InChIInChI=1S/C23H21NO4/c1-3-22(26)28-20-11-9-15(12-21(20)27-2)18-13-19(25)23-16-7-5-4-6-14(16)8-10-17(23)24-18/h4-12,18,24H,3,13H2,1-2H3/t18-/m1/s1
InChIKeyAGYKHIAIMCVHHP-GOSISDBHSA-N
MW375.42 g/mol
LogP4.90
Rot. Bonds4

About [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate

[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate (PubChem CID 1261142) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate.

Molecular Properties

Compound Name[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate
PubChem CID1261142
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate
SMILESCCC(=O)Oc1ccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC
InChIInChI=1S/C23H21NO4/c1-3-22(26)28-20-11-9-15(12-21(20)27-2)18-13-19(25)23-16-7-5-4-6-14(16)8-10-17(23)24-18/h4-12,18,24H,3,13H2,1-2H3/t18-/m1/s1
InChIKeyAGYKHIAIMCVHHP-GOSISDBHSA-N
XLogP4.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(3R)-3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 781607
3-(2-methoxyphenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 2869986
[2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] pentanoate
CID 2945423
[2-methoxy-4-(4-oxo-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-5-yl)phenyl] acetate
CID 3580186
3-(3-chlorophenyl)-3,4-dihydro-2H-benzo[f]quinolin-1-one
CID 45035436
(2R,5S)-5-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 1282804
methyl 12-(3-ethoxy-4-propanoyloxyphenyl)-9,9-dimethyl-11-oxo-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate
CID 5300268
methyl (8S,12R)-12-(3-ethoxy-4-propanoyloxyphenyl)-9,9-dimethyl-11-oxo-7,8,10,12-tetrahydrobenzo[a]acridine-8-carboxylate
CID 26314729
[5-[(5R)-2,2-dimethyl-4-oxo-1,3,5,6-tetrahydrobenzo[a]phenanthridin-5-yl]-2-methoxyphenyl] acetate
CID 1079452
2-(4-methoxy-3-propoxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110538069
[2-ethoxy-4-[(9R,12R)-11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl]phenyl] propanoate
CID 26314725
[2-methoxy-4-[(2S)-4-oxo-2,3-dihydro-1,3-benzoxazin-2-yl]phenyl] propanoate
CID 7450993

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate?
The IUPAC name of [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate (CID 1261142) is [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate.
What is the SMILES notation for [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate?
The canonical SMILES for [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate is CCC(=O)Oc1ccc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc1OC.
What is the InChIKey of [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate?
The InChIKey is AGYKHIAIMCVHHP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21NO4/c1-3-22(26)28-20-11-9-15(12-21(20)27-2)18-13-19(25)23-16-7-5-4-6-14(16)8-10-17(23)24-18/h4-12,18,24H,3,13H2,1-2H3/t18-/m1/s1.
What are the key properties of [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate?
[2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate has a molecular weight of 375.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(3R)-1-oxo-3,4-dihydro-2H-benzo[f]quinolin-3-yl]phenyl] propanoate is sourced from PubChem (CID 1261142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).