5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

C22H24N2O3 — CID 124874611

IUPAC5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESCO[C@H]1Cc2ccccc2N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C22H24N2O3/c1-27-18-12-16-6-2-3-7-20(16)24(14-18)22(26)8-4-5-15-9-10-19-17(11-15)13-21(25)23-19/h2-3,6-7,9-11,18H,4-5,8,12-14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyQCDQNBDMUGPMIC-SFHVURJKSA-N
MW364.45 g/mol
LogP3.11
Rot. Bonds5

About 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (PubChem CID 124874611) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
PubChem CID124874611
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESCO[C@H]1Cc2ccccc2N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C22H24N2O3/c1-27-18-12-16-6-2-3-7-20(16)24(14-18)22(26)8-4-5-15-9-10-19-17(11-15)13-21(25)23-19/h2-3,6-7,9-11,18H,4-5,8,12-14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyQCDQNBDMUGPMIC-SFHVURJKSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (CID 124874611) is 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is CO[C@H]1Cc2ccccc2N(C(=O)CCCc2ccc3c(c2)CC(=O)N3)C1.
What is the InChIKey of 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The InChIKey is QCDQNBDMUGPMIC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-27-18-12-16-6-2-3-7-20(16)24(14-18)22(26)8-4-5-15-9-10-19-17(11-15)13-21(25)23-19/h2-3,6-7,9-11,18H,4-5,8,12-14H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 124874611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).