N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine

C22H23FN2O4 — CID 42433159

IUPACN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3
InChIInChI=1S/C22H23FN2O4/c1-26-7-3-6-24-12-17-9-16-10-20-21(29-14-28-20)11-19(16)25-22(17)27-13-15-4-2-5-18(23)8-15/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKeyWELZEUPBOPJXLS-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.81
Rot. Bonds9

About N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine

N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine (PubChem CID 42433159) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine
PubChem CID42433159
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC NameN-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine
SMILESCOCCCNCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3
InChIInChI=1S/C22H23FN2O4/c1-26-7-3-6-24-12-17-9-16-10-20-21(29-14-28-20)11-19(16)25-22(17)27-13-15-4-2-5-18(23)8-15/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3
InChIKeyWELZEUPBOPJXLS-UHFFFAOYSA-N
XLogP3.81
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.81
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-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-1-(5-methylfuran-2-yl)methanamine
CID 42485314
N-[[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-2-phenylethanamine
CID 26337971
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
N-benzyl-3-[(3-fluorophenyl)methoxy]propan-1-amine
CID 114782944
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
4-methoxy-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]butan-1-amine
CID 115608350
N-[[3-chloro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]ethanamine
CID 115952940
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
5-[(3-fluorophenyl)methyl]-7-[(3-imidazol-1-ylpropylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 26340216
N-[(2-chloro-4-fluorophenyl)methyl]-5-methoxypentan-1-amine
CID 103792840

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine (CID 42433159) is N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine is COCCCNCc1cc2cc3c(cc2nc1OCc1cccc(F)c1)OCO3.
What is the InChIKey of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine?
The InChIKey is WELZEUPBOPJXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-26-7-3-6-24-12-17-9-16-10-20-21(29-14-28-20)11-19(16)25-22(17)27-13-15-4-2-5-18(23)8-15/h2,4-5,8-11,24H,3,6-7,12-14H2,1H3.
What are the key properties of N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine?
N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine has a molecular weight of 398.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-fluorophenyl)methoxy]-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 42433159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).