1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one

C24H26FN3O2 — CID 25465196

IUPAC1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2nc3cc(F)ccc3cc2CNCCCN2CCCC2=O)c1
InChIInChI=1S/C24H26FN3O2/c1-30-21-6-2-5-18(14-21)24-19(13-17-8-9-20(25)15-22(17)27-24)16-26-10-4-12-28-11-3-7-23(28)29/h2,5-6,8-9,13-15,26H,3-4,7,10-12,16H2,1H3
InChIKeyLNOAVQUNHHTCLI-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.15
Rot. Bonds8

About 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 25465196) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID25465196
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
SMILESCOc1cccc(-c2nc3cc(F)ccc3cc2CNCCCN2CCCC2=O)c1
InChIInChI=1S/C24H26FN3O2/c1-30-21-6-2-5-18(14-21)24-19(13-17-8-9-20(25)15-22(17)27-24)16-26-10-4-12-28-11-3-7-23(28)29/h2,5-6,8-9,13-15,26H,3-4,7,10-12,16H2,1H3
InChIKeyLNOAVQUNHHTCLI-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methylamino]propyl]pyrrolidin-2-one
CID 42432717
N-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-2-imidazol-1-ylethanamine
CID 56853829
1-[3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212265
N-[(7-fluoro-2-thiophen-3-ylquinolin-3-yl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 29085678
1-[3-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212007
1-[3-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211958
1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 66535670
1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211934
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682
1-[3-[(3,5-dichloro-2-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 17212153
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one (CID 25465196) is 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one is COc1cccc(-c2nc3cc(F)ccc3cc2CNCCCN2CCCC2=O)c1.
What is the InChIKey of 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is LNOAVQUNHHTCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-30-21-6-2-5-18(14-21)24-19(13-17-8-9-20(25)15-22(17)27-24)16-26-10-4-12-28-11-3-7-23(28)29/h2,5-6,8-9,13-15,26H,3-4,7,10-12,16H2,1H3.
What are the key properties of 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 407.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 25465196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).