N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

C30H27FN4O5 — CID 56847546

IUPACN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C30H27FN4O5/c1-5-39-28-17-35(24-11-6-19(31)14-18(24)2)34-29(28)30(36)33-20-7-9-21(10-8-20)40-25-12-13-32-23-16-27(38-4)26(37-3)15-22(23)25/h6-17H,5H2,1-4H3,(H,33,36)
InChIKeyMVCWHHQMRRTDJU-UHFFFAOYSA-N
MW542.57 g/mol
LogP6.33
Rot. Bonds9

About N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide

N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (PubChem CID 56847546) has the molecular formula C30H27FN4O5 and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
PubChem CID56847546
Molecular FormulaC30H27FN4O5
Molecular Weight542.57 g/mol
Exact Mass542.20
IUPAC NameN-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
SMILESCCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C30H27FN4O5/c1-5-39-28-17-35(24-11-6-19(31)14-18(24)2)34-29(28)30(36)33-20-7-9-21(10-8-20)40-25-12-13-32-23-16-27(38-4)26(37-3)15-22(23)25/h6-17H,5H2,1-4H3,(H,33,36)
InChIKeyMVCWHHQMRRTDJU-UHFFFAOYSA-N
XLogP6.33
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 56847425
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-(4-fluorophenyl)-4-propan-2-yloxypyrazole-3-carboxamide
CID 56847543
1-[2-chloro-4-(trifluoromethoxy)phenyl]-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxypyrazole-3-carboxamide
CID 134392170
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 122632950
4-(cyclopropylmethoxy)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-1-(4-fluoro-2-phenoxyphenyl)pyrazole-3-carboxamide
CID 134392253
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-3-methoxyphenyl)pyrazole-3-carboxamide
CID 66611812
1-(3-chloropyrazin-2-yl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]-4-ethoxypyrazole-3-carboxamide
CID 134392171
N-[4-[7-[2-(hydroxyamino)-2-oxoethoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-1-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 162645893
1-(2-chloro-3-pyridinyl)-N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 122633118
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-(1,3-oxazol-2-yl)pyrazole-3-carboxamide
CID 122633080
1-(4-chloro-2-methylphenyl)-N-[5-[(6,7-dimethoxyquinolin-4-yl)methoxy]-2-pyridinyl]-4-ethoxypyrazole-3-carboxamide
CID 146576289
N-[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-4-ethoxy-1-[4-(2-hydroxyethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 122632949

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide (CID 56847546) is N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is CCOc1cn(-c2ccc(F)cc2C)nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is MVCWHHQMRRTDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O5/c1-5-39-28-17-35(24-11-6-19(31)14-18(24)2)34-29(28)30(36)33-20-7-9-21(10-8-20)40-25-12-13-32-23-16-27(38-4)26(37-3)15-22(23)25/h6-17H,5H2,1-4H3,(H,33,36).
What are the key properties of N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide?
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 56847546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).