N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide

C23H25FN2O3 — CID 70849373

IUPACN-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide
SMILESCOc1ccc2c(CCC(C)(C)C(=O)Nc3ccc(OCF)cc3)ccnc2c1
InChIInChI=1S/C23H25FN2O3/c1-23(2,22(27)26-17-4-6-18(7-5-17)29-15-24)12-10-16-11-13-25-21-14-19(28-3)8-9-20(16)21/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,26,27)
InChIKeyWETLNEDRTIIUHH-UHFFFAOYSA-N
MW396.46 g/mol
LogP5.15
Rot. Bonds8

About N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide

N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide (PubChem CID 70849373) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide
PubChem CID70849373
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC NameN-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide
SMILESCOc1ccc2c(CCC(C)(C)C(=O)Nc3ccc(OCF)cc3)ccnc2c1
InChIInChI=1S/C23H25FN2O3/c1-23(2,22(27)26-17-4-6-18(7-5-17)29-15-24)12-10-16-11-13-25-21-14-19(28-3)8-9-20(16)21/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,26,27)
InChIKeyWETLNEDRTIIUHH-UHFFFAOYSA-N
XLogP5.15
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(7-methoxyquinolin-4-yl)methylamino]-2-methylpropanoate
CID 59694298
3-[4-[(7-methoxyquinolin-4-yl)methyl]anilino]propan-1-ol
CID 142073498
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(3,3-dimethylbutyl)urea;hydrochloride
CID 23022726
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N-(4-fluorophenyl)-2-[2-(6-methoxyquinolin-4-yl)ethyl-piperidin-4-ylamino]acetamide
CID 23152191
4,7-dimethoxyquinoline
CID 20743716
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
methyl 7-(trifluoromethoxy)quinoline-4-carboxylate
CID 53418982
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
3-[(6-methoxyisoquinolin-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106278262

Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide (CID 70849373) is N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide is COc1ccc2c(CCC(C)(C)C(=O)Nc3ccc(OCF)cc3)ccnc2c1.
What is the InChIKey of N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide?
The InChIKey is WETLNEDRTIIUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-23(2,22(27)26-17-4-6-18(7-5-17)29-15-24)12-10-16-11-13-25-21-14-19(28-3)8-9-20(16)21/h4-9,11,13-14H,10,12,15H2,1-3H3,(H,26,27).
What are the key properties of N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide?
N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide has a molecular weight of 396.46 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethoxy)phenyl]-4-(7-methoxyquinolin-4-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 70849373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).