3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal

C20H23FN2O — CID 89062923

IUPAC3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
SMILESCN1CCCc2ccc(CNc3ccc(CCC=O)c(F)c3)cc21
InChIInChI=1S/C20H23FN2O/c1-23-10-2-4-17-7-6-15(12-20(17)23)14-22-18-9-8-16(5-3-11-24)19(21)13-18/h6-9,11-13,22H,2-5,10,14H2,1H3
InChIKeyXWZUKNYMMHPKNB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.95
Rot. Bonds6

About 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal

3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal (PubChem CID 89062923) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal.

Molecular Properties

Compound Name3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
PubChem CID89062923
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal
SMILESCN1CCCc2ccc(CNc3ccc(CCC=O)c(F)c3)cc21
InChIInChI=1S/C20H23FN2O/c1-23-10-2-4-17-7-6-15(12-20(17)23)14-22-18-9-8-16(5-3-11-24)19(21)13-18/h6-9,11-13,22H,2-5,10,14H2,1H3
InChIKeyXWZUKNYMMHPKNB-UHFFFAOYSA-N
XLogP3.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368605
4-chloro-3-fluoro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63444151
ethyl 3-[2-fluoro-4-[(1-propyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368832
3-[4-[[1-(4-chlorophenyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methylamino]-2-fluorophenyl]propanal
CID 89063059
3-[2-fluoro-4-[[1-(2-methoxyacetyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanal
CID 89063034
2-fluoro-4-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]phenol
CID 64782991
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097010
3-[2-methyl-6-[(1-phenyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]-3-pyridinyl]propanal
CID 89062883
ethyl 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methoxy]phenyl]propanoate
CID 59368643
3-chloro-4-fluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62094953

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal?
The IUPAC name of 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal (CID 89062923) is 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal.
What is the SMILES notation for 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal?
The canonical SMILES for 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal is CN1CCCc2ccc(CNc3ccc(CCC=O)c(F)c3)cc21.
What is the InChIKey of 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal?
The InChIKey is XWZUKNYMMHPKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-23-10-2-4-17-7-6-15(12-20(17)23)14-22-18-9-8-16(5-3-11-24)19(21)13-18/h6-9,11-13,22H,2-5,10,14H2,1H3.
What are the key properties of 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal?
3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal has a molecular weight of 326.42 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanal is sourced from PubChem (CID 89062923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).