3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate

C17H15N3O6 — CID 30339524

IUPAC3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
SMILESCc1nc2ccccc2c(=O)n1CCCOC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H15N3O6/c1-11-18-13-6-3-2-5-12(13)16(21)19(11)9-4-10-25-17(22)14-7-8-15(26-14)20(23)24/h2-3,5-8H,4,9-10H2,1H3
InChIKeyRBKIGBNTVXXREI-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.45
Rot. Bonds6

About 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate

3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate (PubChem CID 30339524) has the molecular formula C17H15N3O6 and a molecular weight of 357.32 g/mol. Its IUPAC name is 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
PubChem CID30339524
Molecular FormulaC17H15N3O6
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
SMILESCc1nc2ccccc2c(=O)n1CCCOC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C17H15N3O6/c1-11-18-13-6-3-2-5-12(13)16(21)19(11)9-4-10-25-17(22)14-7-8-15(26-14)20(23)24/h2-3,5-8H,4,9-10H2,1H3
InChIKeyRBKIGBNTVXXREI-UHFFFAOYSA-N
XLogP2.45
TPSA117.47 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate with MolForge

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Related Compounds

3-(4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate
CID 30338582
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-methoxyphenyl)acetate
CID 30339575
octyl 5-nitrofuran-2-carboxylate
CID 5106395
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 2-(4-chlorophenyl)sulfanylacetate
CID 30339679
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-methyl-3-[3-(methylamino)propyl]quinazolin-4-one
CID 30370658
2-(2-methyl-4-oxoquinazolin-3-yl)ethyl 3-phenylprop-2-enoate
CID 71964243
(5-phenyl-1,3-oxazol-2-yl)methyl 5-nitrofuran-2-carboxylate
CID 9454937
5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
CID 52901502
2-methyl-2-[4-[3-(2-methyl-4-oxoquinazolin-3-yl)propoxy]phenyl]sulfanylpropanoic acid
CID 59723825
3-(2-ethyl-4-oxoquinazolin-3-yl)propyl propanoate
CID 59723876
N-tert-butyl-4-(2-methyl-4-oxoquinazolin-3-yl)butanamide
CID 54672499

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate?
The IUPAC name of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate (CID 30339524) is 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate.
What is the SMILES notation for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate?
The canonical SMILES for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate is Cc1nc2ccccc2c(=O)n1CCCOC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate?
The InChIKey is RBKIGBNTVXXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O6/c1-11-18-13-6-3-2-5-12(13)16(21)19(11)9-4-10-25-17(22)14-7-8-15(26-14)20(23)24/h2-3,5-8H,4,9-10H2,1H3.
What are the key properties of 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate?
3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate has a molecular weight of 357.32 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-oxoquinazolin-3-yl)propyl 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 30339524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).