N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C22H17N5O4 — CID 46274663

IUPACN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccco4)cc23)cc1
InChIInChI=1S/C22H17N5O4/c1-30-15-7-4-13(5-8-15)19-20-24-22(29)17-9-6-14(11-18(17)27(20)26-25-19)21(28)23-12-16-3-2-10-31-16/h2-11,26H,12H2,1H3,(H,23,28)
InChIKeyDIVDLADPPJUDER-UHFFFAOYSA-N
MW415.41 g/mol
LogP2.77
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 46274663) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID46274663
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC NameN-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccco4)cc23)cc1
InChIInChI=1S/C22H17N5O4/c1-30-15-7-4-13(5-8-15)19-20-24-22(29)17-9-6-14(11-18(17)27(20)26-25-19)21(28)23-12-16-3-2-10-31-16/h2-11,26H,12H2,1H3,(H,23,28)
InChIKeyDIVDLADPPJUDER-UHFFFAOYSA-N
XLogP2.77
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274665
N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757461
3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498827
3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757512
3-(4-fluorophenyl)-N-(3-methylbutyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757500
5-oxo-3-phenyl-N-(3-propan-2-yloxypropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757534
N-(furan-2-ylmethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15995150
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523560
3-(4-fluorophenyl)-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1H-triazolo[1,5-a]quinazolin-5-one
CID 45498856
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
N-(furan-2-ylmethyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469584

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 46274663) is N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccco4)cc23)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is DIVDLADPPJUDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-30-15-7-4-13(5-8-15)19-20-24-22(29)17-9-6-14(11-18(17)27(20)26-25-19)21(28)23-12-16-3-2-10-31-16/h2-11,26H,12H2,1H3,(H,23,28).
What are the key properties of N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 46274663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).