1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

C23H27N3O3 — CID 95181355

IUPAC1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-24(2)19-14-17-6-3-4-7-21(17)26(15-19)23(28)16-29-20-11-9-18(10-12-20)25-13-5-8-22(25)27/h3-4,6-7,9-12,19H,5,8,13-16H2,1-2H3/t19-/m0/s1
InChIKeyWUCHYHGFAUBWIM-IBGZPJMESA-N
MW393.49 g/mol
LogP2.71
Rot. Bonds5

About 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 95181355) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID95181355
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESCN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C23H27N3O3/c1-24(2)19-14-17-6-3-4-7-21(17)26(15-19)23(28)16-29-20-11-9-18(10-12-20)25-13-5-8-22(25)27/h3-4,6-7,9-12,19H,5,8,13-16H2,1-2H3/t19-/m0/s1
InChIKeyWUCHYHGFAUBWIM-IBGZPJMESA-N
XLogP2.71
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 95181355) is 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is CN(C)[C@H]1Cc2ccccc2N(C(=O)COc2ccc(N3CCCC3=O)cc2)C1.
What is the InChIKey of 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is WUCHYHGFAUBWIM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27N3O3/c1-24(2)19-14-17-6-3-4-7-21(17)26(15-19)23(28)16-29-20-11-9-18(10-12-20)25-13-5-8-22(25)27/h3-4,6-7,9-12,19H,5,8,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3S)-3-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 95181355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).