N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide

C32H34F2N4O2 — CID 143468780

IUPACN-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCc1cc2ncc(CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2cc1CCc1cccnc1NC=O
InChIInChI=1S/C32H34F2N4O2/c1-5-23-15-29-26(14-25(23)9-8-24-7-6-10-35-30(24)37-20-39)11-22(17-36-29)19-38(31(40)32(2,3)4)18-21-12-27(33)16-28(34)13-21/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3,(H,35,37,39)
InChIKeyWPLDFWLSKGNSOQ-UHFFFAOYSA-N
MW544.65 g/mol
LogP6.40
Rot. Bonds10

About N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide

N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide (PubChem CID 143468780) has the molecular formula C32H34F2N4O2 and a molecular weight of 544.65 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide
PubChem CID143468780
Molecular FormulaC32H34F2N4O2
Molecular Weight544.65 g/mol
Exact Mass544.26
IUPAC NameN-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide
SMILESCCc1cc2ncc(CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2cc1CCc1cccnc1NC=O
InChIInChI=1S/C32H34F2N4O2/c1-5-23-15-29-26(14-25(23)9-8-24-7-6-10-35-30(24)37-20-39)11-22(17-36-29)19-38(31(40)32(2,3)4)18-21-12-27(33)16-28(34)13-21/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3,(H,35,37,39)
InChIKeyWPLDFWLSKGNSOQ-UHFFFAOYSA-N
XLogP6.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide with MolForge

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Launch Full Analysis

Related Compounds

benzoic acid;N-(3-ethyl-2-pyridinyl)formamide
CID 175520647
N-ethyl-N-[3-(2-formamido-3-pyridinyl)propyl]acetamide
CID 143218064
[3-[(3,5-difluorophenyl)methyl]-2-pyridinyl]urea
CID 175789728
N-[3-[2-[2-[(benzylamino)methyl]-7-methylquinolin-6-yl]ethyl]-2-pyridinyl]formamide
CID 143468847
tert-butyl N-(3-bromo-2-pyridinyl)-N-[2-(3,5-difluorophenyl)ethyl]carbamate
CID 71185038
1-(3-ethyl-2-pyridinyl)-3-[2-(3-fluorophenyl)ethyl]thiourea
CID 19703423
N-[2-(3,5-difluorophenyl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62615627
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42817578
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
2-[(3,5-difluorophenyl)methylamino]-N,N-diethylquinoxaline-6-sulfonamide
CID 50840577
tert-butyl-[(2S,3S)-1-(3,5-difluorophenyl)-4-[(2-ethylpyrimidin-4-yl)methylamino]-3-hydroxybutan-2-yl]carbamic acid
CID 69423368
2-formamidopyridine-3-carboxylic acid
CID 54137252

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide (CID 143468780) is N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide is CCc1cc2ncc(CN(Cc3cc(F)cc(F)c3)C(=O)C(C)(C)C)cc2cc1CCc1cccnc1NC=O.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide?
The InChIKey is WPLDFWLSKGNSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N4O2/c1-5-23-15-29-26(14-25(23)9-8-24-7-6-10-35-30(24)37-20-39)11-22(17-36-29)19-38(31(40)32(2,3)4)18-21-12-27(33)16-28(34)13-21/h6-7,10-17,20H,5,8-9,18-19H2,1-4H3,(H,35,37,39).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide?
N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide has a molecular weight of 544.65 g/mol, XLogP of 6.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-N-[[7-ethyl-6-[2-(2-formamido-3-pyridinyl)ethyl]quinolin-3-yl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 143468780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).