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

C23H19N5O4 — CID 46274665

IUPAC3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccc(C)o4)cc23)cc1
InChIInChI=1S/C23H19N5O4/c1-13-3-7-17(32-13)12-24-22(29)15-6-10-18-19(11-15)28-21(25-23(18)30)20(26-27-28)14-4-8-16(31-2)9-5-14/h3-11,27H,12H2,1-2H3,(H,24,29)
InChIKeyKBWQAOWHFCSTQE-UHFFFAOYSA-N
MW429.44 g/mol
LogP3.08
Rot. Bonds5

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

3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 46274665) has the molecular formula C23H19N5O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID46274665
Molecular FormulaC23H19N5O4
Molecular Weight429.44 g/mol
Exact Mass429.14
IUPAC Name3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCOc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccc(C)o4)cc23)cc1
InChIInChI=1S/C23H19N5O4/c1-13-3-7-17(32-13)12-24-22(29)15-6-10-18-19(11-15)28-21(25-23(18)30)20(26-27-28)14-4-8-16(31-2)9-5-14/h3-11,27H,12H2,1-2H3,(H,24,29)
InChIKeyKBWQAOWHFCSTQE-UHFFFAOYSA-N
XLogP3.08
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 46274663
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
N-cyclopropyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757462
N-cyclohexyl-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757519
3-(2-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757512
3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498832
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-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757545
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504
N-butan-2-yl-3-(4-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757498

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 46274665) is 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccc(C)o4)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is KBWQAOWHFCSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4/c1-13-3-7-17(32-13)12-24-22(29)15-6-10-18-19(11-15)28-21(25-23(18)30)20(26-27-28)14-4-8-16(31-2)9-5-14/h3-11,27H,12H2,1-2H3,(H,24,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 46274665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).