N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

C17H15N5O3 — CID 53073711

IUPACN-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCc1cccc2c1ncn1c(=O)n(CC(=O)NCc3ccco3)nc21
InChIInChI=1S/C17H15N5O3/c1-11-4-2-6-13-15(11)19-10-21-16(13)20-22(17(21)24)9-14(23)18-8-12-5-3-7-25-12/h2-7,10H,8-9H2,1H3,(H,18,23)
InChIKeyYGZISNSHYJVJOR-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.26
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (PubChem CID 53073711) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
PubChem CID53073711
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
SMILESCc1cccc2c1ncn1c(=O)n(CC(=O)NCc3ccco3)nc21
InChIInChI=1S/C17H15N5O3/c1-11-4-2-6-13-15(11)19-10-21-16(13)20-22(17(21)24)9-14(23)18-8-12-5-3-7-25-12/h2-7,10H,8-9H2,1H3,(H,18,23)
InChIKeyYGZISNSHYJVJOR-UHFFFAOYSA-N
XLogP1.26
TPSA94.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide with MolForge

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Related Compounds

N-(2-ethoxyphenyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53020247
2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 53073712
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34454596
N-(furan-2-ylmethyl)-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 45496929
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 19520030
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46433793
2-[(2,6-dimethylphenyl)methylamino]-N-(furan-2-ylmethyl)acetamide
CID 75384925
2-(3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 16675463
N-[3-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 39228693
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-(furan-2-ylmethyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112779007
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide (CID 53073711) is N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is Cc1cccc2c1ncn1c(=O)n(CC(=O)NCc3ccco3)nc21.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
The InChIKey is YGZISNSHYJVJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-4-2-6-13-15(11)19-10-21-16(13)20-22(17(21)24)9-14(23)18-8-12-5-3-7-25-12/h2-7,10H,8-9H2,1H3,(H,18,23).
What are the key properties of N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide?
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide has a molecular weight of 337.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide is sourced from PubChem (CID 53073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).