(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one

C23H29NO4 — CID 27521012

IUPAC(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21
InChIInChI=1S/C23H29NO4/c1-4-7-12-28-20-11-9-8-10-16(20)17-14-23(25)24-19-15-22(27-6-3)21(26-5-2)13-18(17)19/h8-11,13,15,17H,4-7,12,14H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyBXSLKGARFGYQQU-KRWDZBQOSA-N
MW383.49 g/mol
LogP5.14
Rot. Bonds9

About (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one

(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 27521012) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID27521012
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one
SMILESCCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21
InChIInChI=1S/C23H29NO4/c1-4-7-12-28-20-11-9-8-10-16(20)17-14-23(25)24-19-15-22(27-6-3)21(26-5-2)13-18(17)19/h8-11,13,15,17H,4-7,12,14H2,1-3H3,(H,24,25)/t17-/m0/s1
InChIKeyBXSLKGARFGYQQU-KRWDZBQOSA-N
XLogP5.14
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
7-(2-ethoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 50945296
4-(5-bromo-2-ethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 2973014
(4R)-4-(2-ethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248757
(4S)-4-(2-butoxyphenyl)-7-hydroxy-3,4-dihydro-1H-benzo[h]quinolin-2-one
CID 7412896
(4R)-4-(2-butoxyphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136833368
6,7-dimethyl-4-[2-(2-methylpropoxy)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 17122358
6,7-diethoxy-4-(4-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17312443
6,7-diethoxy-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 17060731
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
(4R)-1-propan-2-yl-4-(2-propoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826011

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one (CID 27521012) is (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one is CCCCOc1ccccc1[C@@H]1CC(=O)Nc2cc(OCC)c(OCC)cc21.
What is the InChIKey of (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is BXSLKGARFGYQQU-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-7-12-28-20-11-9-8-10-16(20)17-14-23(25)24-19-15-22(27-6-3)21(26-5-2)13-18(17)19/h8-11,13,15,17H,4-7,12,14H2,1-3H3,(H,24,25)/t17-/m0/s1.
What are the key properties of (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one?
(4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 383.49 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-butoxyphenyl)-6,7-diethoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 27521012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).