1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine

C23H31N3O — CID 131914391

IUPAC1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
SMILESCc1ccc2cc(CNC(C)C3=CCCCC3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-20-15-21(16-24-18(2)19-6-4-3-5-7-19)23(25-22(20)14-17)26-10-12-27-13-11-26/h6,8-9,14-15,18,24H,3-5,7,10-13,16H2,1-2H3
InChIKeyKYPHSFMJEBUGOY-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.36
Rot. Bonds5

About 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine

1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine (PubChem CID 131914391) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
PubChem CID131914391
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine
SMILESCc1ccc2cc(CNC(C)C3=CCCCC3)c(N3CCOCC3)nc2c1
InChIInChI=1S/C23H31N3O/c1-17-8-9-20-15-21(16-24-18(2)19-6-4-3-5-7-19)23(25-22(20)14-17)26-10-12-27-13-11-26/h6,8-9,14-15,18,24H,3-5,7,10-13,16H2,1-2H3
InChIKeyKYPHSFMJEBUGOY-UHFFFAOYSA-N
XLogP4.36
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(4-ethylpiperazin-1-yl)methyl]-7-methylquinolin-2-yl]morpholine
CID 91761902
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
(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
(3S,4S)-3-hydroxy-1-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]piperidine-4-carboxylic acid
CID 164690368
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553
1-[[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 118758522
4-[3-(1H-imidazol-2-yl)-7-methylquinolin-2-yl]morpholine
CID 56722426
(6S,11S)-2-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316569
N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 118758265
1-(cyclohexen-1-yl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 131894979
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine (CID 131914391) is 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine is Cc1ccc2cc(CNC(C)C3=CCCCC3)c(N3CCOCC3)nc2c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine?
The InChIKey is KYPHSFMJEBUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17-8-9-20-15-21(16-24-18(2)19-6-4-3-5-7-19)23(25-22(20)14-17)26-10-12-27-13-11-26/h6,8-9,14-15,18,24H,3-5,7,10-13,16H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine?
1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine has a molecular weight of 365.52 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-[(7-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]ethanamine is sourced from PubChem (CID 131914391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).