3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

C27H32ClN5O3 — CID 56950822

IUPAC3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1N1CCN(CC2CN(CCNc3ccnc4cc(Cl)ccc34)C(=O)O2)CC1
InChIInChI=1S/C27H32ClN5O3/c1-2-35-26-6-4-3-5-25(26)32-15-13-31(14-16-32)18-21-19-33(27(34)36-21)12-11-30-23-9-10-29-24-17-20(28)7-8-22(23)24/h3-10,17,21H,2,11-16,18-19H2,1H3,(H,29,30)
InChIKeyNGDSFCYEBQXSOV-UHFFFAOYSA-N
MW510.04 g/mol
LogP4.34
Rot. Bonds9

About 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one

3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 56950822) has the molecular formula C27H32ClN5O3 and a molecular weight of 510.04 g/mol. Its IUPAC name is 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID56950822
Molecular FormulaC27H32ClN5O3
Molecular Weight510.04 g/mol
Exact Mass509.22
IUPAC Name3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESCCOc1ccccc1N1CCN(CC2CN(CCNc3ccnc4cc(Cl)ccc34)C(=O)O2)CC1
InChIInChI=1S/C27H32ClN5O3/c1-2-35-26-6-4-3-5-25(26)32-15-13-31(14-16-32)18-21-19-33(27(34)36-21)12-11-30-23-9-10-29-24-17-20(28)7-8-22(23)24/h3-10,17,21H,2,11-16,18-19H2,1H3,(H,29,30)
InChIKeyNGDSFCYEBQXSOV-UHFFFAOYSA-N
XLogP4.34
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.04
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

7-chloro-N-[2-[4-(2-nitrophenyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52949780
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711
7-chloro-N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52942606
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
(2R)-1-[3-[(7-chloroquinolin-4-yl)amino]propylamino]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 71594573
1-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 56950680
N-(7-chloroquinolin-4-yl)-N'-[2-(4-ethylpiperazin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 127050646
N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 155808671
7-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]quinolin-4-amine
CID 122561077
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 56950822) is 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is CCOc1ccccc1N1CCN(CC2CN(CCNc3ccnc4cc(Cl)ccc34)C(=O)O2)CC1.
What is the InChIKey of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is NGDSFCYEBQXSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O3/c1-2-35-26-6-4-3-5-25(26)32-15-13-31(14-16-32)18-21-19-33(27(34)36-21)12-11-30-23-9-10-29-24-17-20(28)7-8-22(23)24/h3-10,17,21H,2,11-16,18-19H2,1H3,(H,29,30).
What are the key properties of 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one?
3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 510.04 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56950822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).