(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

C27H23NO3 — CID 1117589

IUPAC(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C27H23NO3/c1-30-24-14-12-20(15-25(24)31-17-18-7-3-2-4-8-18)23-16-26(29)28-27-21-10-6-5-9-19(21)11-13-22(23)27/h2-15,23H,16-17H2,1H3,(H,28,29)/t23-/m1/s1
InChIKeyZPVHTEDAPOYHNW-HSZRJFAPSA-N
MW409.49 g/mol
LogP5.90
Rot. Bonds5

About (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one

(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 1117589) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID1117589
Molecular FormulaC27H23NO3
Molecular Weight409.49 g/mol
Exact Mass409.17
IUPAC Name(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C27H23NO3/c1-30-24-14-12-20(15-25(24)31-17-18-7-3-2-4-8-18)23-16-26(29)28-27-21-10-6-5-9-19(21)11-13-22(23)27/h2-15,23H,16-17H2,1H3,(H,28,29)/t23-/m1/s1
InChIKeyZPVHTEDAPOYHNW-HSZRJFAPSA-N
XLogP5.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one with MolForge

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Related Compounds

4-(3-chloro-4-hydroxy-5-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2882925
4-naphthalen-2-yl-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2879509
[2,6-dimethoxy-4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]phenyl] acetate
CID 1123360
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
4-(3-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 2992745
(4S)-4-(4-phenylphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 1268646
4-(3-phenoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3115454
4-(3-iodophenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 633987
methyl 4-[(4S)-2-oxo-3,4-dihydro-1H-benzo[h]quinolin-4-yl]benzoate
CID 803008
(4S)-4-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902867
4-(3,4-dimethoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 6462296

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 1117589) is (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is COc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCc1ccccc1.
What is the InChIKey of (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is ZPVHTEDAPOYHNW-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H23NO3/c1-30-24-14-12-20(15-25(24)31-17-18-7-3-2-4-8-18)23-16-26(29)28-27-21-10-6-5-9-19(21)11-13-22(23)27/h2-15,23H,16-17H2,1H3,(H,28,29)/t23-/m1/s1.
What are the key properties of (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one?
(4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 409.49 g/mol, XLogP of 5.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 1117589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).