8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C27H33N3O3 — CID 171908857

IUPAC8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(N2CCCC2)ccc2c1NC(=O)CC2c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C27H33N3O3/c1-19-24(29-13-5-6-14-29)12-11-22-23(17-25(31)28-27(19)22)20-7-9-21(10-8-20)33-18-26(32)30-15-3-2-4-16-30/h7-12,23H,2-6,13-18H2,1H3,(H,28,31)
InChIKeyZPEDGWBSRUTOTP-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.46
Rot. Bonds5

About 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 171908857) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID171908857
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1c(N2CCCC2)ccc2c1NC(=O)CC2c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C27H33N3O3/c1-19-24(29-13-5-6-14-29)12-11-22-23(17-25(31)28-27(19)22)20-7-9-21(10-8-20)33-18-26(32)30-15-3-2-4-16-30/h7-12,23H,2-6,13-18H2,1H3,(H,28,31)
InChIKeyZPEDGWBSRUTOTP-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 169416064
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 50958965
(4R)-4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 95128655
methyl (4S)-4-[4-[2-(azepan-1-yl)-2-oxoethoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1115219
ethyl (4R)-6-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1041042
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
(4R)-4-(4-hydroxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 7248893
4-(4,5-dimethylfuran-2-yl)-7-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50959504
2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)pyrazolidine-3-carboxylate
CID 75590255

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 171908857) is 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is Cc1c(N2CCCC2)ccc2c1NC(=O)CC2c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZPEDGWBSRUTOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19-24(29-13-5-6-14-29)12-11-22-23(17-25(31)28-27(19)22)20-7-9-21(10-8-20)33-18-26(32)30-15-3-2-4-16-30/h7-12,23H,2-6,13-18H2,1H3,(H,28,31).
What are the key properties of 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 447.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 171908857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).