N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

C23H21FN4O3 — CID 24759202

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)ccc1CC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C23H21FN4O3/c1-13-14(2)27-28-23(13)26-22(29)10-15-4-6-17(12-21(15)30-3)31-20-8-9-25-19-7-5-16(24)11-18(19)20/h4-9,11-12H,10H2,1-3H3,(H2,26,27,28,29)
InChIKeyCMZVIHMWCCEUKH-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.70
Rot. Bonds6

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (PubChem CID 24759202) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
PubChem CID24759202
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide
SMILESCOc1cc(Oc2ccnc3ccc(F)cc23)ccc1CC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C23H21FN4O3/c1-13-14(2)27-28-23(13)26-22(29)10-15-4-6-17(12-21(15)30-3)31-20-8-9-25-19-7-5-16(24)11-18(19)20/h4-9,11-12H,10H2,1-3H3,(H2,26,27,28,29)
InChIKeyCMZVIHMWCCEUKH-UHFFFAOYSA-N
XLogP4.70
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 24759093
4-[4-[2-[(4,5-dimethyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-methoxyphenoxy]-7-methoxy-N-methylquinoline-6-carboxamide
CID 24759206
N-(4,5-dimethyl-1,2-oxazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]propanamide
CID 67304059
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 24759091
N'-(2,4-difluorophenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]propanediamide
CID 59791951
2-(2,4-dimethoxyphenyl)-N-(4-fluorophenyl)acetamide
CID 9400761
1-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 69321364
1-(2,4-difluorophenyl)-5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-sulfanylidenepentan-2-one
CID 58249610
3-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-1-(4-fluorophenyl)-1-methylurea
CID 139799425
1-[4-(6-amino-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]-3-(4-fluorophenyl)propan-2-one
CID 58272950
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-methoxy-5-(6-methoxyquinolin-4-yl)oxy-2-pyridinyl]acetamide
CID 69075131

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide (CID 24759202) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is COc1cc(Oc2ccnc3ccc(F)cc23)ccc1CC(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
The InChIKey is CMZVIHMWCCEUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-13-14(2)27-28-23(13)26-22(29)10-15-4-6-17(12-21(15)30-3)31-20-8-9-25-19-7-5-16(24)11-18(19)20/h4-9,11-12H,10H2,1-3H3,(H2,26,27,28,29).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide has a molecular weight of 420.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methoxyphenyl]acetamide is sourced from PubChem (CID 24759202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).