2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide

C27H23N5O3 — CID 29469726

IUPAC2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C27H23N5O3/c1-30(24(33)18-31-23-15-9-8-14-22(23)26(34)28-27(31)35)16-20-17-32(21-12-6-3-7-13-21)29-25(20)19-10-4-2-5-11-19/h2-15,17H,16,18H2,1H3,(H,28,34,35)
InChIKeyQXAUYNHPCJBJRY-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.20
Rot. Bonds6

About 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide

2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 29469726) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID29469726
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC Name2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C27H23N5O3/c1-30(24(33)18-31-23-15-9-8-14-22(23)26(34)28-27(31)35)16-20-17-32(21-12-6-3-7-13-21)29-25(20)19-10-4-2-5-11-19/h2-15,17H,16,18H2,1H3,(H,28,34,35)
InChIKeyQXAUYNHPCJBJRY-UHFFFAOYSA-N
XLogP3.20
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
CID 31801441
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-ethyl-N-methyl-4-oxophthalazine-1-carboxamide
CID 39763829
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 24547320
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 135840288
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 46492219

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide (CID 29469726) is 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is QXAUYNHPCJBJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c1-30(24(33)18-31-23-15-9-8-14-22(23)26(34)28-27(31)35)16-20-17-32(21-12-6-3-7-13-21)29-25(20)19-10-4-2-5-11-19/h2-15,17H,16,18H2,1H3,(H,28,34,35).
What are the key properties of 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 465.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 29469726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).