1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

C26H32N2O4 — CID 118086281

IUPAC1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCOc1c(-c2cccc(C(=O)N3CCOCC3)c2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C26H32N2O4/c1-4-14-32-25-22(10-11-24-23(25)9-8-18(2)28(24)19(3)29)20-6-5-7-21(17-20)26(30)27-12-15-31-16-13-27/h5-7,10-11,17-18H,4,8-9,12-16H2,1-3H3/t18-/m0/s1
InChIKeyQFRWALIQWBOCIR-SFHVURJKSA-N
MW436.55 g/mol
LogP4.30
Rot. Bonds5

About 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118086281) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118086281
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCOc1c(-c2cccc(C(=O)N3CCOCC3)c2)ccc2c1CC[C@H](C)N2C(C)=O
InChIInChI=1S/C26H32N2O4/c1-4-14-32-25-22(10-11-24-23(25)9-8-18(2)28(24)19(3)29)20-6-5-7-21(17-20)26(30)27-12-15-31-16-13-27/h5-7,10-11,17-18H,4,8-9,12-16H2,1-3H3/t18-/m0/s1
InChIKeyQFRWALIQWBOCIR-SFHVURJKSA-N
XLogP4.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118086281) is 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCCOc1c(-c2cccc(C(=O)N3CCOCC3)c2)ccc2c1CC[C@H](C)N2C(C)=O.
What is the InChIKey of 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is QFRWALIQWBOCIR-SFHVURJKSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-4-14-32-25-22(10-11-24-23(25)9-8-18(2)28(24)19(3)29)20-6-5-7-21(17-20)26(30)27-12-15-31-16-13-27/h5-7,10-11,17-18H,4,8-9,12-16H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 436.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-6-[3-(morpholine-4-carbonyl)phenyl]-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118086281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).