(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one

C23H23NO3 — CID 7412896

IUPAC(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCCCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21
InChIInChI=1S/C23H23NO3/c1-2-3-13-27-21-10-5-4-7-16(21)19-14-22(26)24-23-17-8-6-9-20(25)15(17)11-12-18(19)23/h4-12,19,25H,2-3,13-14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyZVIFSBLFDAPJEG-LJQANCHMSA-N
MW361.44 g/mol
LogP5.20
Rot. Bonds5

About (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one

(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one (PubChem CID 7412896) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one
PubChem CID7412896
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one
SMILESCCCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21
InChIInChI=1S/C23H23NO3/c1-2-3-13-27-21-10-5-4-7-16(21)19-14-22(26)24-23-17-8-6-9-20(25)15(17)11-12-18(19)23/h4-12,19,25H,2-3,13-14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyZVIFSBLFDAPJEG-LJQANCHMSA-N
XLogP5.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
CID 27521012
7-(2-butoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811489
6-bromo-4-(2-phenylmethoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 3448734
(4R)-4-(2-butoxyphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833368
(4S)-4-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 721560
(4S)-4-(2-butoxyphenyl)-1-(3-chloro-2-methylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136759678
(4-methoxyphenyl)methyl 6-methyl-2-oxo-4-(2-propoxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
CID 17060716
5-pentoxynaphthalen-1-ol
CID 67823980
ethane;4-(5-ethoxy-2-methoxyphenyl)-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 143519859
3-(4-fluorophenyl)-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50811692
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011
(7R)-3-(4-methoxyphenyl)-5-oxo-7-(2-propoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridine-2-carboxylic acid
CID 95061295

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The IUPAC name of (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one (CID 7412896) is (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one.
What is the SMILES notation for (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The canonical SMILES for (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one is CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1ccc1c(O)cccc21.
What is the InChIKey of (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one?
The InChIKey is ZVIFSBLFDAPJEG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23NO3/c1-2-3-13-27-21-10-5-4-7-16(21)19-14-22(26)24-23-17-8-6-9-20(25)15(17)11-12-18(19)23/h4-12,19,25H,2-3,13-14H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one?
(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one has a molecular weight of 361.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one is sourced from PubChem (CID 7412896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).