1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide

C28H23N5O3 — CID 155778893

IUPAC1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide
SMILESCc1c(Oc2ccnc3cc(-n4cc(C(N)=O)cn4)ccc23)cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H23N5O3/c1-18-22(28(35)31-15-19-6-3-2-4-7-19)8-5-9-25(18)36-26-12-13-30-24-14-21(10-11-23(24)26)33-17-20(16-32-33)27(29)34/h2-14,16-17H,15H2,1H3,(H2,29,34)(H,31,35)
InChIKeyZVEQAIZENNYEPN-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.55
Rot. Bonds7

About 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide

1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide (PubChem CID 155778893) has the molecular formula C28H23N5O3 and a molecular weight of 477.52 g/mol. Its IUPAC name is 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide
PubChem CID155778893
Molecular FormulaC28H23N5O3
Molecular Weight477.52 g/mol
Exact Mass477.18
IUPAC Name1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide
SMILESCc1c(Oc2ccnc3cc(-n4cc(C(N)=O)cn4)ccc23)cccc1C(=O)NCc1ccccc1
InChIInChI=1S/C28H23N5O3/c1-18-22(28(35)31-15-19-6-3-2-4-7-19)8-5-9-25(18)36-26-12-13-30-24-14-21(10-11-23(24)26)33-17-20(16-32-33)27(29)34/h2-14,16-17H,15H2,1H3,(H2,29,34)(H,31,35)
InChIKeyZVEQAIZENNYEPN-UHFFFAOYSA-N
XLogP4.55
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
2-methyl-N-(pyridin-4-ylmethyl)-3-(7-pyrimidin-5-ylquinolin-4-yl)oxybenzamide
CID 155778979
N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
2-methyl-3-(7-pyrazin-2-ylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 155778804
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridazin-4-ylmethyl)benzamide
CID 155779160
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
CID 167602082
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
N-[(4-cyanophenyl)methyl]-3-(7-methoxyquinolin-4-yl)oxy-2-methylbenzamide
CID 155778881

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide (CID 155778893) is 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide is Cc1c(Oc2ccnc3cc(-n4cc(C(N)=O)cn4)ccc23)cccc1C(=O)NCc1ccccc1.
What is the InChIKey of 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide?
The InChIKey is ZVEQAIZENNYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O3/c1-18-22(28(35)31-15-19-6-3-2-4-7-19)8-5-9-25(18)36-26-12-13-30-24-14-21(10-11-23(24)26)33-17-20(16-32-33)27(29)34/h2-14,16-17H,15H2,1H3,(H2,29,34)(H,31,35).
What are the key properties of 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide?
1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide has a molecular weight of 477.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(benzylcarbamoyl)-2-methylphenoxy]quinolin-7-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 155778893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).