N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

C18H19N5O2 — CID 91777997

IUPACN-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C18H19N5O2/c1-23(9-16-12-6-4-8-15(12)21-22-16)17(24)10-25-18-13-5-2-3-7-14(13)19-11-20-18/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,21,22)
InChIKeyXECDWOIYOGCRLE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.88
Rot. Bonds5

About N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide

N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 91777997) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID91777997
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)COc1ncnc2ccccc12
InChIInChI=1S/C18H19N5O2/c1-23(9-16-12-6-4-8-15(12)21-22-16)17(24)10-25-18-13-5-2-3-7-14(13)19-11-20-18/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,21,22)
InChIKeyXECDWOIYOGCRLE-UHFFFAOYSA-N
XLogP1.88
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 51174011
2-(3-butanoylindol-1-yl)-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91843020
N-methyl-2-quinazolin-4-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 4793715
1-(3-butyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 28881445
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxy)acetamide
CID 131905863
1-(3-propan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-2-quinazolin-4-yloxyethanone
CID 39834425
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
N-methyl-3-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)propanamide
CID 90650169
2-(2-chlorophenyl)-2-hydroxy-N-methyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91760765
N'-methyl-N-(2-propan-2-ylphenyl)-N'-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butanediamide
CID 46987826
N-methyl-2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91764997
N-methyl-2-quinazolin-4-yloxyacetamide
CID 2422162

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 91777997) is N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is CN(Cc1n[nH]c2c1CCC2)C(=O)COc1ncnc2ccccc12.
What is the InChIKey of N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is XECDWOIYOGCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-23(9-16-12-6-4-8-15(12)21-22-16)17(24)10-25-18-13-5-2-3-7-14(13)19-11-20-18/h2-3,5,7,11H,4,6,8-10H2,1H3,(H,21,22).
What are the key properties of N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-quinazolin-4-yloxy-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 91777997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).