2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

C21H18FN5O2 — CID 17422564

IUPAC2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C21H18FN5O2/c1-25(11-15-10-24-27(12-15)17-5-3-2-4-6-17)20(28)13-26-14-23-19-9-16(22)7-8-18(19)21(26)29/h2-10,12,14H,11,13H2,1H3
InChIKeyXQSNIDIQHGBPJV-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.38
Rot. Bonds5

About 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (PubChem CID 17422564) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
PubChem CID17422564
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C21H18FN5O2/c1-25(11-15-10-24-27(12-15)17-5-3-2-4-6-17)20(28)13-26-14-23-19-9-16(22)7-8-18(19)21(26)29/h2-10,12,14H,11,13H2,1H3
InChIKeyXQSNIDIQHGBPJV-UHFFFAOYSA-N
XLogP2.38
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 51288185
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
N-methyl-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 24570965
2-(4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961646
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 29417377
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961762
2-(4,5-dimethylimidazol-1-yl)-N-methyl-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]acetamide
CID 91835564
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 70742540
N-methyl-N-[(4-methylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4809022
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide (CID 17422564) is 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
The InChIKey is XQSNIDIQHGBPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-25(11-15-10-24-27(12-15)17-5-3-2-4-6-17)20(28)13-26-14-23-19-9-16(22)7-8-18(19)21(26)29/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide?
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide has a molecular weight of 391.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-4-oxoquinazolin-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 17422564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).