N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide

C23H27N5O2 — CID 18572093

IUPACN-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1
InChIInChI=1S/C23H27N5O2/c1-14-9-10-15(2)20(11-14)24-21(29)13-27-22(30)18-7-5-6-8-19(18)25-23(27)28-17(4)12-16(3)26-28/h9-12H,5-8,13H2,1-4H3,(H,24,29)
InChIKeyXMJPRKPWEOAQEH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.18
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide

N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide (PubChem CID 18572093) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide
PubChem CID18572093
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1
InChIInChI=1S/C23H27N5O2/c1-14-9-10-15(2)20(11-14)24-21(29)13-27-22(30)18-7-5-6-8-19(18)25-23(27)28-17(4)12-16(3)26-28/h9-12H,5-8,13H2,1-4H3,(H,24,29)
InChIKeyXMJPRKPWEOAQEH-UHFFFAOYSA-N
XLogP3.18
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 41107024
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 18572095
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]-N-propylacetamide
CID 18572122
2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]-N-methylacetamide
CID 41107128
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetyl]amino]benzoate
CID 18572112
N-(5-chloro-2-methoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 41107154
ethyl 4-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetyl]amino]benzoate
CID 41107069
2-(3,5-dimethylpyrazol-1-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 41106928
N-(2,5-dimethylphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)acetamide
CID 91908677
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 8628405
3-[2-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2-(3,5-dimethylpyrazol-1-yl)-5,6,7,8-tetrahydroquinazolin-4-one
CID 44907178
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide (CID 18572093) is N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2c(-n3nc(C)cc3C)nc3c(c2=O)CCCC3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide?
The InChIKey is XMJPRKPWEOAQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-14-9-10-15(2)20(11-14)24-21(29)13-27-22(30)18-7-5-6-8-19(18)25-23(27)28-17(4)12-16(3)26-28/h9-12H,5-8,13H2,1-4H3,(H,24,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetamide is sourced from PubChem (CID 18572093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).