N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine

C22H21FN4O — CID 56853829

IUPACN-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
SMILESCOc1cccc(-c2nc3cc(F)ccc3cc2CNCCn2ccnc2)c1
InChIInChI=1S/C22H21FN4O/c1-28-20-4-2-3-17(12-20)22-18(14-24-7-9-27-10-8-25-15-27)11-16-5-6-19(23)13-21(16)26-22/h2-6,8,10-13,15,24H,7,9,14H2,1H3
InChIKeyHGRNDQSTZTVMIJ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.04
Rot. Bonds7

About N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine

N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine (PubChem CID 56853829) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
PubChem CID56853829
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
SMILESCOc1cccc(-c2nc3cc(F)ccc3cc2CNCCn2ccnc2)c1
InChIInChI=1S/C22H21FN4O/c1-28-20-4-2-3-17(12-20)22-18(14-24-7-9-27-10-8-25-15-27)11-16-5-6-19(23)13-21(16)26-22/h2-6,8,10-13,15,24H,7,9,14H2,1H3
InChIKeyHGRNDQSTZTVMIJ-UHFFFAOYSA-N
XLogP4.04
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
CID 25465196
N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
CID 42471305
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]methanamine
CID 42359710
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
N-[(2-chloro-5-fluorophenyl)methyl]-2-imidazol-1-ylethanamine
CID 102615563
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954909
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 31016911
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643790
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437

Frequently Asked Questions

What is the IUPAC name of N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine (CID 56853829) is N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine is COc1cccc(-c2nc3cc(F)ccc3cc2CNCCn2ccnc2)c1.
What is the InChIKey of N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The InChIKey is HGRNDQSTZTVMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-28-20-4-2-3-17(12-20)22-18(14-24-7-9-27-10-8-25-15-27)11-16-5-6-19(23)13-21(16)26-22/h2-6,8,10-13,15,24H,7,9,14H2,1H3.
What are the key properties of N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine has a molecular weight of 376.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 56853829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).