4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one

C27H28FN3O — CID 18847310

IUPAC4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN3O/c1-18-13-15-31(16-14-18)26(32)8-4-6-21-22-17-20(28)10-12-24(22)30-27(21)25-11-9-19-5-2-3-7-23(19)29-25/h2-3,5,7,9-12,17-18,30H,4,6,8,13-16H2,1H3
InChIKeyBGFMPSBZZLYVTH-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.10
Rot. Bonds5

About 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 18847310) has the molecular formula C27H28FN3O and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID18847310
Molecular FormulaC27H28FN3O
Molecular Weight429.54 g/mol
Exact Mass429.22
IUPAC Name4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(C(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H28FN3O/c1-18-13-15-31(16-14-18)26(32)8-4-6-21-22-17-20(28)10-12-24(22)30-27(21)25-11-9-19-5-2-3-7-23(19)29-25/h2-3,5,7,9-12,17-18,30H,4,6,8,13-16H2,1H3
InChIKeyBGFMPSBZZLYVTH-UHFFFAOYSA-N
XLogP6.10
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one with MolForge

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Related Compounds

4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-piperidin-1-ylbutan-1-one
CID 18847374
1-(2-methylpiperidin-1-yl)-4-(5-methyl-2-quinolin-2-yl-1H-indol-3-yl)butan-1-one
CID 18846970
N-ethyl-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 18847450
S-(1,3-benzothiazol-2-yl) 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanethioate
CID 18847457
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 18847440
4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18833151
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-(4-methoxyphenyl)butanamide
CID 18847417
N-[(2-chlorophenyl)methyl]-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847315
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 18847354
ethyl 4-[4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanoylamino]benzoate
CID 18847392
1-(2,6-dimethylmorpholin-4-yl)-4-(5-fluoro-2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18833257
N-(2,5-dichlorophenyl)-4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)butanamide
CID 18847395

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one (CID 18847310) is 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one is CC1CCN(C(=O)CCCc2c(-c3ccc4ccccc4n3)[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is BGFMPSBZZLYVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O/c1-18-13-15-31(16-14-18)26(32)8-4-6-21-22-17-20(28)10-12-24(22)30-27(21)25-11-9-19-5-2-3-7-23(19)29-25/h2-3,5,7,9-12,17-18,30H,4,6,8,13-16H2,1H3.
What are the key properties of 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one?
4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 429.54 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-quinolin-2-yl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 18847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).