4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine

C21H30N4O — CID 91761902

IUPAC4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
SMILESCCN1CCN(Cc2cc3ccc(C)cc3nc2N2CCOCC2)CC1
InChIInChI=1S/C21H30N4O/c1-3-23-6-8-24(9-7-23)16-19-15-18-5-4-17(2)14-20(18)22-21(19)25-10-12-26-13-11-25/h4-5,14-15H,3,6-13,16H2,1-2H3
InChIKeyOANYVIFJJLBDBB-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.52
Rot. Bonds4

About 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine (PubChem CID 91761902) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
PubChem CID91761902
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
SMILESCCN1CCN(Cc2cc3ccc(C)cc3nc2N2CCOCC2)CC1
InChIInChI=1S/C21H30N4O/c1-3-23-6-8-24(9-7-23)16-19-15-18-5-4-17(2)14-20(18)22-21(19)25-10-12-26-13-11-25/h4-5,14-15H,3,6-13,16H2,1-2H3
InChIKeyOANYVIFJJLBDBB-UHFFFAOYSA-N
XLogP2.52
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 164690368
(3aS,6aR)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3-one
CID 163309665
1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
CID 131914391
(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316569
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
(3R)-1-[3-[(4-ethyl-1,4-diazepan-1-yl)methyl]-6-methylquinolin-2-yl]piperidin-3-ol
CID 99962325
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
CID 56722426
(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-ol
CID 134704805
(5E)-5-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 1227121
4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
1-[(3R,4R)-4-hydroxy-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698083
4-[(5-methyl-1-benzothiophen-3-yl)methyl]morpholine
CID 117185055

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine?
The IUPAC name of 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine (CID 91761902) is 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine is CCN1CCN(Cc2cc3ccc(C)cc3nc2N2CCOCC2)CC1.
What is the InChIKey of 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine?
The InChIKey is OANYVIFJJLBDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-23-6-8-24(9-7-23)16-19-15-18-5-4-17(2)14-20(18)22-21(19)25-10-12-26-13-11-25/h4-5,14-15H,3,6-13,16H2,1-2H3.
What are the key properties of 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine?
4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine has a molecular weight of 354.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine is sourced from PubChem (CID 91761902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).