N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide

C27H22FN5O — CID 24733633

IUPACN-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C27H22FN5O/c28-23-10-3-2-8-21(23)22-9-5-7-19-12-13-25(31-26(19)22)32-14-16-33(17-15-32)27(34)30-24-11-4-1-6-20(24)18-29/h1-13H,14-17H2,(H,30,34)
InChIKeyLSUQNMFTUQLHDE-UHFFFAOYSA-N
MW451.51 g/mol
LogP5.27
Rot. Bonds3

About N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide

N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide (PubChem CID 24733633) has the molecular formula C27H22FN5O and a molecular weight of 451.51 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
PubChem CID24733633
Molecular FormulaC27H22FN5O
Molecular Weight451.51 g/mol
Exact Mass451.18
IUPAC NameN-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide
SMILESN#Cc1ccccc1NC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1
InChIInChI=1S/C27H22FN5O/c28-23-10-3-2-8-21(23)22-9-5-7-19-12-13-25(31-26(19)22)32-14-16-33(17-15-32)27(34)30-24-11-4-1-6-20(24)18-29/h1-13H,14-17H2,(H,30,34)
InChIKeyLSUQNMFTUQLHDE-UHFFFAOYSA-N
XLogP5.27
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]amino]acetate
CID 24733632
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CID 113114212
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
4-(2-cyanophenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 3758236
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
4-(5-amino-2-pyridinyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 66765224
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
4-(2-cyanophenyl)-N-[2-fluoro-6-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 74229078
N-(2-cyano-3-fluorophenyl)pyrrolidine-1-carboxamide
CID 78954561

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide (CID 24733633) is N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide is N#Cc1ccccc1NC(=O)N1CCN(c2ccc3cccc(-c4ccccc4F)c3n2)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
The InChIKey is LSUQNMFTUQLHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O/c28-23-10-3-2-8-21(23)22-9-5-7-19-12-13-25(31-26(19)22)32-14-16-33(17-15-32)27(34)30-24-11-4-1-6-20(24)18-29/h1-13H,14-17H2,(H,30,34).
What are the key properties of N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide?
N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 24733633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).