3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid

C26H34FN3O3 — CID 59368669

IUPAC3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid
SMILESCc1c(CNc2ccc(CCC(=O)O)c(F)c2)ccc2c1N(CCN1CCOCC1)CCC2
InChIInChI=1S/C26H34FN3O3/c1-19-22(18-28-23-8-6-20(24(27)17-23)7-9-25(31)32)5-4-21-3-2-10-30(26(19)21)12-11-29-13-15-33-16-14-29/h4-6,8,17,28H,2-3,7,9-16,18H2,1H3,(H,31,32)
InChIKeyLBWIIEXYTHEARH-UHFFFAOYSA-N
MW455.57 g/mol
LogP3.85
Rot. Bonds9

About 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid

3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid (PubChem CID 59368669) has the molecular formula C26H34FN3O3 and a molecular weight of 455.57 g/mol. Its IUPAC name is 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid
PubChem CID59368669
Molecular FormulaC26H34FN3O3
Molecular Weight455.57 g/mol
Exact Mass455.26
IUPAC Name3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid
SMILESCc1c(CNc2ccc(CCC(=O)O)c(F)c2)ccc2c1N(CCN1CCOCC1)CCC2
InChIInChI=1S/C26H34FN3O3/c1-19-22(18-28-23-8-6-20(24(27)17-23)7-9-25(31)32)5-4-21-3-2-10-30(26(19)21)12-11-29-13-15-33-16-14-29/h4-6,8,17,28H,2-3,7,9-16,18H2,1H3,(H,31,32)
InChIKeyLBWIIEXYTHEARH-UHFFFAOYSA-N
XLogP3.85
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.57
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid with MolForge

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Related Compounds

3-[4-[[1-[2-(3-chlorophenyl)ethyl]-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methylamino]-2-fluorophenyl]propanoic acid
CID 59368681
3-[2-fluoro-4-[(8-methyl-1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoic acid
CID 59368574
3-[2-fluoro-4-[[1-(2-methoxyacetyl)-8-methyl-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanal
CID 89063034
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-phenoxyethyl)-3,4-dihydro-2H-quinolin-5-yl]methylamino]phenyl]propanoic acid
CID 24808572
ethyl 3-[2-fluoro-4-[(1-propyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368832
3-[4-[[1-[2-(4-chlorophenoxy)ethyl]-3,4-dihydro-2H-quinolin-5-yl]methylamino]-2-fluorophenyl]propanoic acid
CID 59368969
ethyl 3-[2-fluoro-4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methylamino]phenyl]propanoate
CID 59368605
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28583324
3-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methylamino]-2-fluorophenyl]propanoic acid
CID 12002200
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
ethyl 3-[2-fluoro-4-[[1-(2-phenoxyethyl)-3,4-dihydro-2H-quinolin-5-yl]methylamino]phenyl]propanoate
CID 59368977

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid?
The IUPAC name of 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid (CID 59368669) is 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid is Cc1c(CNc2ccc(CCC(=O)O)c(F)c2)ccc2c1N(CCN1CCOCC1)CCC2.
What is the InChIKey of 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid?
The InChIKey is LBWIIEXYTHEARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O3/c1-19-22(18-28-23-8-6-20(24(27)17-23)7-9-25(31)32)5-4-21-3-2-10-30(26(19)21)12-11-29-13-15-33-16-14-29/h4-6,8,17,28H,2-3,7,9-16,18H2,1H3,(H,31,32).
What are the key properties of 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid?
3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid has a molecular weight of 455.57 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-[[8-methyl-1-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinolin-7-yl]methylamino]phenyl]propanoic acid is sourced from PubChem (CID 59368669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).