4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide

C26H25FN4O2 — CID 142581497

IUPAC4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)NC3CC(O)C3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H25FN4O2/c27-18-6-7-23-21(12-18)24(22(15-29-23)25(33)30-19-13-20(32)14-19)31-10-8-26(16-28,9-11-31)17-4-2-1-3-5-17/h1-7,12,15,19-20,32H,8-11,13-14H2,(H,30,33)
InChIKeyVMZRSOJIIZIEKP-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.69
Rot. Bonds4

About 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide

4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide (PubChem CID 142581497) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
PubChem CID142581497
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide
SMILESN#CC1(c2ccccc2)CCN(c2c(C(=O)NC3CC(O)C3)cnc3ccc(F)cc23)CC1
InChIInChI=1S/C26H25FN4O2/c27-18-6-7-23-21(12-18)24(22(15-29-23)25(33)30-19-13-20(32)14-19)31-10-8-26(16-28,9-11-31)17-4-2-1-3-5-17/h1-7,12,15,19-20,32H,8-11,13-14H2,(H,30,33)
InChIKeyVMZRSOJIIZIEKP-UHFFFAOYSA-N
XLogP3.69
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide with MolForge

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Related Compounds

1-[6-fluoro-3-(piperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 142581187
1-(6-fluoroquinazolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 155980890
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
[6-fluoro-4-(4-phenylpiperazin-1-yl)quinolin-3-yl]-phenylmethanone;hydrochloride
CID 126851117
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
[6-fluoro-4-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 142581621
[6-fluoro-4-[4-(2-hydroxyethyl)-4-phenylpiperidin-1-yl]quinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 155092572
4-[4-(4-cyano-4-methylpiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 142581619
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
1-[3-(4-ethylsulfinylpiperazine-1-carbonyl)-6-fluoroquinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581499
1-[3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-(4-trimethylstannylphenyl)piperidine-4-carbonitrile
CID 171561032
[6-fluoro-4-(4-phenylsulfanylpiperazin-1-yl)quinolin-3-yl]-(4-methylsulfanylpiperazin-1-yl)methanone
CID 174205767

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide (CID 142581497) is 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide is N#CC1(c2ccccc2)CCN(c2c(C(=O)NC3CC(O)C3)cnc3ccc(F)cc23)CC1.
What is the InChIKey of 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?
The InChIKey is VMZRSOJIIZIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c27-18-6-7-23-21(12-18)24(22(15-29-23)25(33)30-19-13-20(32)14-19)31-10-8-26(16-28,9-11-31)17-4-2-1-3-5-17/h1-7,12,15,19-20,32H,8-11,13-14H2,(H,30,33).
What are the key properties of 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide?
4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-4-phenylpiperidin-1-yl)-6-fluoro-N-(3-hydroxycyclobutyl)quinoline-3-carboxamide is sourced from PubChem (CID 142581497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).