N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine

C23H23FN4O2 — CID 42471305

IUPACN-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
SMILESCOc1ccc2cc(CNCCn3ccnc3)c(OCc3ccccc3F)nc2c1
InChIInChI=1S/C23H23FN4O2/c1-29-20-7-6-17-12-19(14-25-8-10-28-11-9-26-16-28)23(27-22(17)13-20)30-15-18-4-2-3-5-21(18)24/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3
InChIKeyYNGZSSYRKKDLCZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.95
Rot. Bonds9

About N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine

N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine (PubChem CID 42471305) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine.

Molecular Properties

Compound NameN-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
PubChem CID42471305
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
SMILESCOc1ccc2cc(CNCCn3ccnc3)c(OCc3ccccc3F)nc2c1
InChIInChI=1S/C23H23FN4O2/c1-29-20-7-6-17-12-19(14-25-8-10-28-11-9-26-16-28)23(27-22(17)13-20)30-15-18-4-2-3-5-21(18)24/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3
InChIKeyYNGZSSYRKKDLCZ-UHFFFAOYSA-N
XLogP3.95
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
CID 56853829
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155358
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
2-imidazol-1-yl-N-[(6-methyl-2-prop-2-enoxyquinolin-3-yl)methyl]ethanamine
CID 126467216
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
N-(2-imidazol-1-ylethyl)-6-methoxyisoquinolin-1-amine
CID 106537955
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The IUPAC name of N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine (CID 42471305) is N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine.
What is the SMILES notation for N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The canonical SMILES for N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine is COc1ccc2cc(CNCCn3ccnc3)c(OCc3ccccc3F)nc2c1.
What is the InChIKey of N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
The InChIKey is YNGZSSYRKKDLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-29-20-7-6-17-12-19(14-25-8-10-28-11-9-26-16-28)23(27-22(17)13-20)30-15-18-4-2-3-5-21(18)24/h2-7,9,11-13,16,25H,8,10,14-15H2,1H3.
What are the key properties of N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine?
N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine has a molecular weight of 406.46 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-fluorophenyl)methoxy]-7-methoxyquinolin-3-yl]methyl]-2-imidazol-1-ylethanamine is sourced from PubChem (CID 42471305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).