[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate

C24H28N2O6 — CID 2943434

IUPAC[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate
SMILESCOc1cc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O
InChIInChI=1S/C24H28N2O6/c1-14-21(24(29)26-9-11-31-12-10-26)22(23-17(25-14)5-4-6-18(23)28)16-7-8-19(32-15(2)27)20(13-16)30-3/h7-8,13,22,25H,4-6,9-12H2,1-3H3
InChIKeyWSZNBFUYUJICLM-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.45
Rot. Bonds4

About [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate

[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate (PubChem CID 2943434) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate
PubChem CID2943434
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Name[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate
SMILESCOc1cc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O
InChIInChI=1S/C24H28N2O6/c1-14-21(24(29)26-9-11-31-12-10-26)22(23-17(25-14)5-4-6-18(23)28)16-7-8-19(32-15(2)27)20(13-16)30-3/h7-8,13,22,25H,4-6,9-12H2,1-3H3
InChIKeyWSZNBFUYUJICLM-UHFFFAOYSA-N
XLogP2.45
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

SJ000025081
CID 3132463
2-amino-4-(3,4-diethoxyphenyl)-7-methyl-6-(2-morpholinoethyl)-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661687
9-[4-(benzyloxy)-3-ethoxyphenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 1022997
4-(2-amino-3-cyano-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-4-yl)-2-methoxyphenyl morpholine-4-carboxylate
CID 3242926
Ethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2829359
2-[9-(3,4-diethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 1003480
[9-(3-Ethoxy-4-methoxy-phenyl)-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl]-acetic acid
CID 1150220
9-(3-ethoxy-4-methoxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 1738441
9-(3,4-dimethoxyphenyl)-10-(2-methoxyethyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1738452
[9-(3-Methoxy-4-prop-2-ynyloxy-phenyl)-3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-acridin-10-yl]-acetic acid
CID 2174253
2-Methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3132432
Ethyl 7-(3,4-dimethoxyphenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3132440

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate?
The IUPAC name of [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate (CID 2943434) is [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate.
What is the SMILES notation for [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate?
The canonical SMILES for [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate is COc1cc(C2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O.
What is the InChIKey of [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate?
The InChIKey is WSZNBFUYUJICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-14-21(24(29)26-9-11-31-12-10-26)22(23-17(25-14)5-4-6-18(23)28)16-7-8-19(32-15(2)27)20(13-16)30-3/h7-8,13,22,25H,4-6,9-12H2,1-3H3.
What are the key properties of [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate?
[2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate has a molecular weight of 440.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[2-methyl-3-(morpholine-4-carbonyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-4-yl]phenyl] acetate is sourced from PubChem (CID 2943434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).