N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide

C22H18ClF2N5O2 — CID 59484183

IUPACN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C(F)F)c2n1
InChIInChI=1S/C22H18ClF2N5O2/c1-13-7-18(30-6-5-26-12-30)15-3-2-4-19(20(15)29-13)32-11-16-14(8-27-10-17(16)23)9-28-22(31)21(24)25/h2-8,10,12,21H,9,11H2,1H3,(H,28,31)
InChIKeyRHYFLEDVMOCPGZ-UHFFFAOYSA-N
MW457.87 g/mol
LogP4.24
Rot. Bonds7

About N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide

N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide (PubChem CID 59484183) has the molecular formula C22H18ClF2N5O2 and a molecular weight of 457.87 g/mol. Its IUPAC name is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide
PubChem CID59484183
Molecular FormulaC22H18ClF2N5O2
Molecular Weight457.87 g/mol
Exact Mass457.11
IUPAC NameN-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide
SMILESCc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C(F)F)c2n1
InChIInChI=1S/C22H18ClF2N5O2/c1-13-7-18(30-6-5-26-12-30)15-3-2-4-19(20(15)29-13)32-11-16-14(8-27-10-17(16)23)9-28-22(31)21(24)25/h2-8,10,12,21H,9,11H2,1H3,(H,28,31)
InChIKeyRHYFLEDVMOCPGZ-UHFFFAOYSA-N
XLogP4.24
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide?
The IUPAC name of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide (CID 59484183) is N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide is Cc1cc(-n2ccnc2)c2cccc(OCc3c(Cl)cncc3CNC(=O)C(F)F)c2n1.
What is the InChIKey of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide?
The InChIKey is RHYFLEDVMOCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF2N5O2/c1-13-7-18(30-6-5-26-12-30)15-3-2-4-19(20(15)29-13)32-11-16-14(8-27-10-17(16)23)9-28-22(31)21(24)25/h2-8,10,12,21H,9,11H2,1H3,(H,28,31).
What are the key properties of N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide?
N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide has a molecular weight of 457.87 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-4-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]-3-pyridinyl]methyl]-2,2-difluoroacetamide is sourced from PubChem (CID 59484183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).