N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine

C21H21ClFN3O — CID 118758265

IUPACN-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cc3ccc(Cl)cc3nc2N2CCOCC2)c1
InChIInChI=1S/C21H21ClFN3O/c22-18-5-4-16-11-17(14-24-13-15-2-1-3-19(23)10-15)21(25-20(16)12-18)26-6-8-27-9-7-26/h1-5,10-12,24H,6-9,13-14H2
InChIKeyAYIMMRGAFOVDIL-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.15
Rot. Bonds5

About N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine

N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 118758265) has the molecular formula C21H21ClFN3O and a molecular weight of 385.87 g/mol. Its IUPAC name is N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID118758265
Molecular FormulaC21H21ClFN3O
Molecular Weight385.87 g/mol
Exact Mass385.14
IUPAC NameN-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cc3ccc(Cl)cc3nc2N2CCOCC2)c1
InChIInChI=1S/C21H21ClFN3O/c22-18-5-4-16-11-17(14-24-13-15-2-1-3-19(23)10-15)21(25-20(16)12-18)26-6-8-27-9-7-26/h1-5,10-12,24H,6-9,13-14H2
InChIKeyAYIMMRGAFOVDIL-UHFFFAOYSA-N
XLogP4.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine with MolForge

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Related Compounds

1-[4-[7-chloro-3-[[2-(2-fluorophenyl)ethylamino]methyl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 26318707
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
1-[[(7-methylsulfanyl-2-morpholin-4-ylquinolin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 118758522
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(7-methyl-2-morpholin-4-ylquinolin-3-yl)methanamine
CID 131948850
[1-[7-fluoro-3-[(2-morpholin-4-ylethylamino)methyl]quinolin-2-yl]piperidin-3-yl]methanol
CID 118754385
N-[2-(3-fluorophenyl)ethyl]-6-morpholin-4-ylpyridin-2-amine
CID 90689116
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657
N-[2-(3-chlorophenyl)ethyl]-4-(6-fluoroindol-1-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 66881903
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine (CID 118758265) is N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2cc3ccc(Cl)cc3nc2N2CCOCC2)c1.
What is the InChIKey of N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is AYIMMRGAFOVDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN3O/c22-18-5-4-16-11-17(14-24-13-15-2-1-3-19(23)10-15)21(25-20(16)12-18)26-6-8-27-9-7-26/h1-5,10-12,24H,6-9,13-14H2.
What are the key properties of N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 385.87 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-2-morpholin-4-ylquinolin-3-yl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 118758265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).