2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C20H13N5O4 — CID 19583180

IUPAC2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESO=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1
InChIInChI=1S/C20H13N5O4/c26-25(27)13-5-7-14(8-6-13)28-11-15-9-10-18(29-15)19-22-20-16-3-1-2-4-17(16)21-12-24(20)23-19/h1-10,12H,11H2
InChIKeyPZFNNISSSFJSRQ-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.02
Rot. Bonds5

About 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583180) has the molecular formula C20H13N5O4 and a molecular weight of 387.36 g/mol. Its IUPAC name is 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583180
Molecular FormulaC20H13N5O4
Molecular Weight387.36 g/mol
Exact Mass387.10
IUPAC Name2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESO=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1
InChIInChI=1S/C20H13N5O4/c26-25(27)13-5-7-14(8-6-13)28-11-15-9-10-18(29-15)19-22-20-16-3-1-2-4-17(16)21-12-24(20)23-19/h1-10,12H,11H2
InChIKeyPZFNNISSSFJSRQ-UHFFFAOYSA-N
XLogP4.02
TPSA108.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583168
11,12-dimethyl-4-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 17021495
2-[5-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 17023221
11-methyl-4-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-13-(trifluoromethyl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589282
10-methyl-4-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 19582522
11-methyl-4-[5-[(3-nitrophenoxy)methyl]furan-2-yl]-13-(trifluoromethyl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589913
2-[4-[5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328542
methyl 12-methyl-4-[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl]-10-thia-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylate
CID 19573588
11,13-dimethyl-4-[5-[(2-nitrophenoxy)methyl]furan-2-yl]-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19589227
11-methyl-4-[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-yl]-13-(trifluoromethyl)-16-thia-3,5,6,8,14-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10(15),11,13-heptaene
CID 19590172
1-[5-[(4-nitrophenoxy)methyl]furan-2-yl]propan-2-amine
CID 170865096
3-(2,4-dichlorophenyl)-5-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326555

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583180) is 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is O=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1.
What is the InChIKey of 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is PZFNNISSSFJSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5O4/c26-25(27)13-5-7-14(8-6-13)28-11-15-9-10-18(29-15)19-22-20-16-3-1-2-4-17(16)21-12-24(20)23-19/h1-10,12H,11H2.
What are the key properties of 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 387.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-nitrophenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).