N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide

C22H18F2N2O2 — CID 150594045

IUPACN-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESC#CCCCOc1c(F)ccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C22H18F2N2O2/c1-3-4-5-12-28-21-17(23)9-11-19(20(21)24)26-22(27)16-8-10-18-15(13-16)7-6-14(2)25-18/h1,6-11,13H,4-5,12H2,2H3,(H,26,27)
InChIKeyIQMCKJVRMKSMHJ-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.87
Rot. Bonds6

About N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide

N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide (PubChem CID 150594045) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
PubChem CID150594045
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC NameN-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
SMILESC#CCCCOc1c(F)ccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F
InChIInChI=1S/C22H18F2N2O2/c1-3-4-5-12-28-21-17(23)9-11-19(20(21)24)26-22(27)16-8-10-18-15(13-16)7-6-14(2)25-18/h1,6-11,13H,4-5,12H2,2H3,(H,26,27)
InChIKeyIQMCKJVRMKSMHJ-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
N-(3-hept-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68733424
N-[(5-fluoro-1H-indol-3-yl)methyl]-2-methylquinoline-6-carboxamide
CID 166339302
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(5-acetyl-1,3-thiazol-2-yl)-2-methylquinoline-6-carboxamide
CID 122151280
(4-iodophenyl)-(2-methylquinolin-6-yl)methanone
CID 115790394
N-(2-fluoro-3-oct-7-ynoxyphenyl)-3-methyl-1,5-naphthyridine-2-carboxamide
CID 151776276
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylquinoline-6-carboxamide
CID 4278738
N-[(3,4-dihydroxyphenyl)methyl]-2-methylquinoline-6-carboxamide
CID 86783878
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
methyl 2-[5-(quinoline-6-carbonylamino)quinolin-8-yl]oxyacetate
CID 75429912

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The IUPAC name of N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide (CID 150594045) is N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide is C#CCCCOc1c(F)ccc(NC(=O)c2ccc3nc(C)ccc3c2)c1F.
What is the InChIKey of N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
The InChIKey is IQMCKJVRMKSMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-3-4-5-12-28-21-17(23)9-11-19(20(21)24)26-22(27)16-8-10-18-15(13-16)7-6-14(2)25-18/h1,6-11,13H,4-5,12H2,2H3,(H,26,27).
What are the key properties of N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide?
N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-pent-4-ynoxyphenyl)-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 150594045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).